1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C12H16N4O2 — CID 63772557

IUPAC1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)NCc1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C12H16N4O2/c1-7(2)13-5-8-4-9-10(14-6-8)16(3)12(18)15-11(9)17/h4,6-7,13H,5H2,1-3H3,(H,15,17,18)
InChIKeyMEIKCLODUMXPKK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.12
Rot. Bonds3

About 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 63772557) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID63772557
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)NCc1cnc2c(c1)c(=O)[nH]c(=O)n2C
InChIInChI=1S/C12H16N4O2/c1-7(2)13-5-8-4-9-10(14-6-8)16(3)12(18)15-11(9)17/h4,6-7,13H,5H2,1-3H3,(H,15,17,18)
InChIKeyMEIKCLODUMXPKK-UHFFFAOYSA-N
XLogP0.12
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 63772557) is 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)NCc1cnc2c(c1)c(=O)[nH]c(=O)n2C.
What is the InChIKey of 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MEIKCLODUMXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)13-5-8-4-9-10(14-6-8)16(3)12(18)15-11(9)17/h4,6-7,13H,5H2,1-3H3,(H,15,17,18).
What are the key properties of 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 63772557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).