N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide

C19H22N4O3 — CID 136664973

IUPACN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CC(c3cc(=O)[nH]c(N)n3)C1)CCC2
InChIInChI=1S/C19H22N4O3/c1-26-16-8-11-4-2-3-10(11)7-14(16)18(25)21-13-5-12(6-13)15-9-17(24)23-19(20)22-15/h7-9,12-13H,2-6H2,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyAAYHVMIABZFVHN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.53
Rot. Bonds4

About N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 136664973) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID136664973
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1cc2c(cc1C(=O)NC1CC(c3cc(=O)[nH]c(N)n3)C1)CCC2
InChIInChI=1S/C19H22N4O3/c1-26-16-8-11-4-2-3-10(11)7-14(16)18(25)21-13-5-12(6-13)15-9-17(24)23-19(20)22-15/h7-9,12-13H,2-6H2,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyAAYHVMIABZFVHN-UHFFFAOYSA-N
XLogP1.53
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 136665264
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 136665174
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 136665222
1-ethyl-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-5-methylpyrazole-4-carboxamide
CID 136662432
N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2-methylsulfanylbenzamide
CID 136662159
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 91762727
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 154897935
N-[3-(6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-4-yl)cyclobutyl]-1H-pyrazole-4-carboxamide
CID 136665323

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 136664973) is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide is COc1cc2c(cc1C(=O)NC1CC(c3cc(=O)[nH]c(N)n3)C1)CCC2.
What is the InChIKey of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is AAYHVMIABZFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-16-8-11-4-2-3-10(11)7-14(16)18(25)21-13-5-12(6-13)15-9-17(24)23-19(20)22-15/h7-9,12-13H,2-6H2,1H3,(H,21,25)(H3,20,22,23,24).
What are the key properties of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 136664973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).