N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C16H20N6O3 — CID 136662521

IUPACN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]1
InChIInChI=1S/C16H20N6O3/c1-7-11(15(25)19-8(2)18-7)5-13(23)20-10-3-9(4-10)12-6-14(24)22-16(17)21-12/h6,9-10H,3-5H2,1-2H3,(H,20,23)(H,18,19,25)(H3,17,21,22,24)
InChIKeyOLZFDMIJVGMEIK-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.34
Rot. Bonds4

About N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136662521) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136662521
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]1
InChIInChI=1S/C16H20N6O3/c1-7-11(15(25)19-8(2)18-7)5-13(23)20-10-3-9(4-10)12-6-14(24)22-16(17)21-12/h6,9-10H,3-5H2,1-2H3,(H,20,23)(H,18,19,25)(H3,17,21,22,24)
InChIKeyOLZFDMIJVGMEIK-UHFFFAOYSA-N
XLogP-0.34
TPSA146.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 136665222
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 137214437
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 136665174
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 138386129
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 136664973
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]acetamide
CID 175641302
2-amino-4-[1-(2-hydroxyacetyl)azetidin-3-yl]-1H-pyrimidin-6-one
CID 136697579
N-(4-acetylphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136890172
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
CID 137247143
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(R)-(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 136704467
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 136665264
N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137010429

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136662521) is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]c(N)n3)C2)c(=O)[nH]1.
What is the InChIKey of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is OLZFDMIJVGMEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-7-11(15(25)19-8(2)18-7)5-13(23)20-10-3-9(4-10)12-6-14(24)22-16(17)21-12/h6,9-10H,3-5H2,1-2H3,(H,20,23)(H,18,19,25)(H3,17,21,22,24).
What are the key properties of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 344.38 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136662521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).