5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine

C12H18ClN3O — CID 107419339

IUPAC5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2CCCC2C)n1
InChIInChI=1S/C12H18ClN3O/c1-8-4-3-5-9(8)6-14-11-10(13)7-15-12(16-11)17-2/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyBPLHGYBXLZTYOY-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.99
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 107419339) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID107419339
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCC2CCCC2C)n1
InChIInChI=1S/C12H18ClN3O/c1-8-4-3-5-9(8)6-14-11-10(13)7-15-12(16-11)17-2/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyBPLHGYBXLZTYOY-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 80758793
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
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
CID 103837643
1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80757941
5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 100694651

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 107419339) is 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCC2CCCC2C)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is BPLHGYBXLZTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-4-3-5-9(8)6-14-11-10(13)7-15-12(16-11)17-2/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 107419339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).