1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol

C13H20ClN3O2 — CID 80757941

IUPAC1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCOc1ncc(Cl)c(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-19-12-15-8-10(14)11(17-12)16-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyJKMPMSWHRJLNNK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.64
Rot. Bonds4

About 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol

1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 80757941) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
PubChem CID80757941
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
SMILESCOc1ncc(Cl)c(NCC2(O)CCCCCC2)n1
InChIInChI=1S/C13H20ClN3O2/c1-19-12-15-8-10(14)11(17-12)16-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyJKMPMSWHRJLNNK-UHFFFAOYSA-N
XLogP2.64
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 103353983
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-2-methoxypyrimidin-4-amine
CID 103837643
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol (CID 80757941) is 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is COc1ncc(Cl)c(NCC2(O)CCCCCC2)n1.
What is the InChIKey of 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is JKMPMSWHRJLNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-19-12-15-8-10(14)11(17-12)16-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol?
1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80757941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).