1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C16H24N4O3 — CID 16845089

IUPAC1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1NCCCOC(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H24N4O3/c1-10(2)23-8-6-7-17-13-11(3)9-18-14-12(13)15(21)20(5)16(22)19(14)4/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyVLOXQISRPZJOIP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.17
Rot. Bonds6

About 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione

1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845089) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845089
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1NCCCOC(C)C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H24N4O3/c1-10(2)23-8-6-7-17-13-11(3)9-18-14-12(13)15(21)20(5)16(22)19(14)4/h9-10H,6-8H2,1-5H3,(H,17,18)
InChIKeyVLOXQISRPZJOIP-UHFFFAOYSA-N
XLogP1.17
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
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 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845089) is 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cnc2c(c1NCCCOC(C)C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VLOXQISRPZJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)23-8-6-7-17-13-11(3)9-18-14-12(13)15(21)20(5)16(22)19(14)4/h9-10H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).