1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C8H7N3O2 — CID 14518323

IUPAC1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cccnc21
InChIInChI=1S/C8H7N3O2/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13)
InChIKeyRHJWPKURFUYZTM-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.38
Rot. Bonds

About 1-methylpyrido[2,3-d]pyrimidine-2,4-dione

1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 14518323) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID14518323
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cccnc21
InChIInChI=1S/C8H7N3O2/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13)
InChIKeyRHJWPKURFUYZTM-UHFFFAOYSA-N
XLogP-0.38
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9500
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
3-Pyridinecarboxamide, 6-amino-N-hydroxy-
CID 3059529
Unii-O3pen5V8WL
CID 453331
7-Amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 14998470
2-Hydroxy nevirapine
CID 10850461
2-Aminopyridine-3-carboxamide
CID 506623
BI-RJ 70
CID 72347
N11-Ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453307
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 14518323) is 1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2cccnc21.
What is the InChIKey of 1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RHJWPKURFUYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-6-5(3-2-4-9-6)7(12)10-8(11)13/h2-4H,1H3,(H,10,12,13).
What are the key properties of 1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 177.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14518323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).