carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate

C13H21N7O2 — CID 134467634

IUPACcarbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate
SMILES[H]/N=C(\OC(N)=O)c1nc(N)c(NC)c(N[C@H](C)C2CCC2)n1
InChIInChI=1S/C13H21N7O2/c1-6(7-4-3-5-7)18-11-8(17-2)9(14)19-12(20-11)10(15)22-13(16)21/h6-7,15,17H,3-5H2,1-2H3,(H2,16,21)(H3,14,18,19,20)/b15-10-/t6-/m1/s1
InChIKeyCFFWSKXTCMBQKF-CKIOPKJNSA-N
MW307.36 g/mol
LogP1.12
Rot. Bonds5

About carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate

carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate (PubChem CID 134467634) has the molecular formula C13H21N7O2 and a molecular weight of 307.36 g/mol. Its IUPAC name is carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate.

Molecular Properties

Compound Namecarbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate
PubChem CID134467634
Molecular FormulaC13H21N7O2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Namecarbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate
SMILES[H]/N=C(\OC(N)=O)c1nc(N)c(NC)c(N[C@H](C)C2CCC2)n1
InChIInChI=1S/C13H21N7O2/c1-6(7-4-3-5-7)18-11-8(17-2)9(14)19-12(20-11)10(15)22-13(16)21/h6-7,15,17H,3-5H2,1-2H3,(H2,16,21)(H3,14,18,19,20)/b15-10-/t6-/m1/s1
InChIKeyCFFWSKXTCMBQKF-CKIOPKJNSA-N
XLogP1.12
TPSA152.03 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-[amino-[4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-[(4-methylcyclohexyl)methylamino]pyrimidin-2-yl]methylidene]carbamic acid
CID 134467578
carbamoyl 6-[[(1R)-1-cyclobutylethyl]amino]-7-[(4-ethynylcyclohexyl)methyl]-8-[(2S,3R)-2-ethynyl-3-phenylmorpholin-4-yl]purine-2-carboximidate
CID 134467801
4-amino-6-(1-cyclobutylethylamino)-N'-hydroxy-5-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-2-carboximidamide
CID 137283678
6-(1-cyclobutylethylamino)-7,8-dimethylpurine-2-carboxylic acid
CID 134468688
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
CID 103078915
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
6-[[(1R)-1-cyclobutylethyl]amino]-8-cyclohexyl-7-[(4-methylcyclohexyl)methyl]purine-2-carboxamide
CID 118558833
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate?
The IUPAC name of carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate (CID 134467634) is carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate.
What is the SMILES notation for carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate?
The canonical SMILES for carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate is [H]/N=C(\OC(N)=O)c1nc(N)c(NC)c(N[C@H](C)C2CCC2)n1.
What is the InChIKey of carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate?
The InChIKey is CFFWSKXTCMBQKF-CKIOPKJNSA-N. The full InChI is InChI=1S/C13H21N7O2/c1-6(7-4-3-5-7)18-11-8(17-2)9(14)19-12(20-11)10(15)22-13(16)21/h6-7,15,17H,3-5H2,1-2H3,(H2,16,21)(H3,14,18,19,20)/b15-10-/t6-/m1/s1.
What are the key properties of carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate?
carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate has a molecular weight of 307.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-amino-6-[[(1R)-1-cyclobutylethyl]amino]-5-(methylamino)pyrimidine-2-carboximidate is sourced from PubChem (CID 134467634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).