9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H25N9O2 — CID 129089218

IUPAC9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILES[H]/N=C(\C(C)C)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(N)nc5)nc4c32)CC1
InChIInChI=1S/C23H25N9O2/c1-12(2)20(24)31-7-5-14(6-8-31)32-19-15(21(33)30-23(32)34)11-26-17-4-3-16(29-18(17)19)13-9-27-22(25)28-10-13/h3-4,9-12,14,24H,5-8H2,1-2H3,(H2,25,27,28)(H,30,33,34)/b24-20+
InChIKeyFVRJHSHZVCNZNQ-HIXSDJFHSA-N
MW459.51 g/mol
LogP1.94
Rot. Bonds3

About 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 129089218) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID129089218
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILES[H]/N=C(\C(C)C)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(N)nc5)nc4c32)CC1
InChIInChI=1S/C23H25N9O2/c1-12(2)20(24)31-7-5-14(6-8-31)32-19-15(21(33)30-23(32)34)11-26-17-4-3-16(29-18(17)19)13-9-27-22(25)28-10-13/h3-4,9-12,14,24H,5-8H2,1-2H3,(H2,25,27,28)(H,30,33,34)/b24-20+
InChIKeyFVRJHSHZVCNZNQ-HIXSDJFHSA-N
XLogP1.94
TPSA159.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 123949458
1-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088451
1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089251
1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089229
1-[1-(2-methylpropanethioyl)piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088585
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329048
9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077663
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329924
9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329014
N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
CID 118329877
1-[1-[(2R)-2-nitrosopropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077671
2-[4-[9-(2-acetamidopyrimidin-5-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]piperidin-1-yl]acetamide
CID 90077690

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 129089218) is 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is [H]/N=C(\C(C)C)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(N)nc5)nc4c32)CC1.
What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is FVRJHSHZVCNZNQ-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-12(2)20(24)31-7-5-14(6-8-31)32-19-15(21(33)30-23(32)34)11-26-17-4-3-16(29-18(17)19)13-9-27-22(25)28-10-13/h3-4,9-12,14,24H,5-8H2,1-2H3,(H2,25,27,28)(H,30,33,34)/b24-20+.
What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 459.51 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 129089218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).