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

C12H16ClN3O — CID 103837643

IUPAC5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2(C3CC3)CC2)n1
InChIInChI=1S/C12H16ClN3O/c1-17-11-14-6-9(13)10(16-11)15-7-12(4-5-12)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyKHIOXMFAJUXAIG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.74
Rot. Bonds5

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

5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine (PubChem CID 103837643) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
PubChem CID103837643
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2(C3CC3)CC2)n1
InChIInChI=1S/C12H16ClN3O/c1-17-11-14-6-9(13)10(16-11)15-7-12(4-5-12)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyKHIOXMFAJUXAIG-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 103353983
1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80757941
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-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 114138477
N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
CID 133454072
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methoxypyrimidin-4-amine
CID 103766956
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80752333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine (CID 103837643) is 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine is COc1ncc(Cl)c(NCC2(C3CC3)CC2)n1.
What is the InChIKey of 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine?
The InChIKey is KHIOXMFAJUXAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-17-11-14-6-9(13)10(16-11)15-7-12(4-5-12)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine?
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine has a molecular weight of 253.73 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 103837643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).