[2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea

C15H22N6O2 — CID 56896106

IUPAC[2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CNC(N)=O)C2
InChIInChI=1S/C15H22N6O2/c1-10-18-12-9-21(13(22)8-17-15(16)23)7-4-11(12)14(19-10)20-5-2-3-6-20/h2-9H2,1H3,(H3,16,17,23)
InChIKeyLZKYZHDBOZPESW-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.06
Rot. Bonds3

About [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea

[2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea (PubChem CID 56896106) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea
PubChem CID56896106
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name[2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CNC(N)=O)C2
InChIInChI=1S/C15H22N6O2/c1-10-18-12-9-21(13(22)8-17-15(16)23)7-4-11(12)14(19-10)20-5-2-3-6-20/h2-9H2,1H3,(H3,16,17,23)
InChIKeyLZKYZHDBOZPESW-UHFFFAOYSA-N
XLogP-0.06
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
4-N-butyl-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 137381348
4-N-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 145979503
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
1-[3-[[2-(Dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
CID 56742152
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N,N-diethylpyrrolidin-3-amine
CID 56861697
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
2-[[7-Acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl](methyl)amino]ethanol
CID 56868073
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(diethylamino)propan-1-one
CID 56870569

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea (CID 56896106) is [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CNC(N)=O)C2.
What is the InChIKey of [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea?
The InChIKey is LZKYZHDBOZPESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10-18-12-9-21(13(22)8-17-15(16)23)7-4-11(12)14(19-10)20-5-2-3-6-20/h2-9H2,1H3,(H3,16,17,23).
What are the key properties of [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea?
[2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea has a molecular weight of 318.38 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]urea is sourced from PubChem (CID 56896106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).