1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one

C19H28N6O — CID 137415051

IUPAC1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one
SMILESCc1ccnc(Nc2ccn(CCCCN3CCC(N)CC3)c(=O)n2)c1
InChIInChI=1S/C19H28N6O/c1-15-4-8-21-18(14-15)22-17-7-13-25(19(26)23-17)10-3-2-9-24-11-5-16(20)6-12-24/h4,7-8,13-14,16H,2-3,5-6,9-12,20H2,1H3,(H,21,22,23,26)
InChIKeyGATWYAXNLWIQNX-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.89
Rot. Bonds7

About 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one

1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one (PubChem CID 137415051) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one.

Molecular Properties

Compound Name1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one
PubChem CID137415051
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one
SMILESCc1ccnc(Nc2ccn(CCCCN3CCC(N)CC3)c(=O)n2)c1
InChIInChI=1S/C19H28N6O/c1-15-4-8-21-18(14-15)22-17-7-13-25(19(26)23-17)10-3-2-9-24-11-5-16(20)6-12-24/h4,7-8,13-14,16H,2-3,5-6,9-12,20H2,1H3,(H,21,22,23,26)
InChIKeyGATWYAXNLWIQNX-UHFFFAOYSA-N
XLogP1.89
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one?
The IUPAC name of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one (CID 137415051) is 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one.
What is the SMILES notation for 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one?
The canonical SMILES for 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one is Cc1ccnc(Nc2ccn(CCCCN3CCC(N)CC3)c(=O)n2)c1.
What is the InChIKey of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one?
The InChIKey is GATWYAXNLWIQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-4-8-21-18(14-15)22-17-7-13-25(19(26)23-17)10-3-2-9-24-11-5-16(20)6-12-24/h4,7-8,13-14,16H,2-3,5-6,9-12,20H2,1H3,(H,21,22,23,26).
What are the key properties of 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one?
1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminopiperidin-1-yl)butyl]-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-one is sourced from PubChem (CID 137415051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).