N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

C12H18N4O2 — CID 56916116

IUPACN-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H]2CC[C@H]2N)c(=O)n1
InChIInChI=1S/C12H18N4O2/c1-7-5-8(2)16(12(18)14-7)6-11(17)15-10-4-3-9(10)13/h5,9-10H,3-4,6,13H2,1-2H3,(H,15,17)/t9-,10+/m1/s1
InChIKeyGVAPDHIQTPZGCQ-ZJUUUORDSA-N
MW250.30 g/mol
LogP-0.53
Rot. Bonds3

About N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide

N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (PubChem CID 56916116) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
PubChem CID56916116
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H]2CC[C@H]2N)c(=O)n1
InChIInChI=1S/C12H18N4O2/c1-7-5-8(2)16(12(18)14-7)6-11(17)15-10-4-3-9(10)13/h5,9-10H,3-4,6,13H2,1-2H3,(H,15,17)/t9-,10+/m1/s1
InChIKeyGVAPDHIQTPZGCQ-ZJUUUORDSA-N
XLogP-0.53
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl(4-butylimino-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetamide
CID 129791878
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1S,2R)-2-fluorocyclopentyl]acetamide
CID 137981272
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-fluoro-3-methylcyclobutyl)acetamide
CID 137993544
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 46983590
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 71895239
N-propan-2-yl-2-[(2,4,6-trimethyl-2H-pyrimidin-1-yl)methylideneamino]acetamide
CID 121328444
2-[(4,6-dimethyl-2H-pyrimidin-1-yl)methylamino]acetamide
CID 121328448
2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide
CID 121328473
(2E)-N-[(2R)-butan-2-yl]-2-(methylamino)-2-(1,4,6-trimethylpyrimidin-2-ylidene)acetamide
CID 121328500
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 1711496
4,6-Dimethyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 24699830

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide (CID 56916116) is N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is Cc1cc(C)n(CC(=O)N[C@H]2CC[C@H]2N)c(=O)n1.
What is the InChIKey of N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
The InChIKey is GVAPDHIQTPZGCQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-5-8(2)16(12(18)14-7)6-11(17)15-10-4-3-9(10)13/h5,9-10H,3-4,6,13H2,1-2H3,(H,15,17)/t9-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide?
N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclobutyl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 56916116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).