N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine

C10H15ClN4O — CID 103353983

IUPACN-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2(N)CCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-16-9-13-5-7(11)8(15-9)14-6-10(12)3-2-4-10/h5H,2-4,6,12H2,1H3,(H,13,14,15)
InChIKeyMKLOJFVSRGZIFY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.43
Rot. Bonds4

About N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine

N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine (PubChem CID 103353983) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
PubChem CID103353983
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC NameN-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2(N)CCC2)n1
InChIInChI=1S/C10H15ClN4O/c1-16-9-13-5-7(11)8(15-9)14-6-10(12)3-2-4-10/h5H,2-4,6,12H2,1H3,(H,13,14,15)
InChIKeyMKLOJFVSRGZIFY-UHFFFAOYSA-N
XLogP1.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80757941
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
CID 103837643
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
CID 80751988
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
5-chloro-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80752333

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine (CID 103353983) is N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine is COc1ncc(Cl)c(NCC2(N)CCC2)n1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
The InChIKey is MKLOJFVSRGZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-16-9-13-5-7(11)8(15-9)14-6-10(12)3-2-4-10/h5H,2-4,6,12H2,1H3,(H,13,14,15).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine?
N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine has a molecular weight of 242.71 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 103353983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).