[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol

C15H25N3O2 — CID 97223315

IUPAC[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
SMILESCOCc1nc(C)cc(N[C@@H]2CCCCC[C@H]2CO)n1
InChIInChI=1S/C15H25N3O2/c1-11-8-14(18-15(16-11)10-20-2)17-13-7-5-3-4-6-12(13)9-19/h8,12-13,19H,3-7,9-10H2,1-2H3,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyRIGSOAZHDDBMAO-QWHCGFSZSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds5

About [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol

[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol (PubChem CID 97223315) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
PubChem CID97223315
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
SMILESCOCc1nc(C)cc(N[C@@H]2CCCCC[C@H]2CO)n1
InChIInChI=1S/C15H25N3O2/c1-11-8-14(18-15(16-11)10-20-2)17-13-7-5-3-4-6-12(13)9-19/h8,12-13,19H,3-7,9-10H2,1-2H3,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyRIGSOAZHDDBMAO-QWHCGFSZSA-N
XLogP2.28
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol with MolForge

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Related Compounds

[2-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106367984
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 138020678
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368257
[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368406
[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 133472380
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364158
[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentyl]methanol
CID 113243952
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
[2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 114179859
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106364093

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol?
The IUPAC name of [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol (CID 97223315) is [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol.
What is the SMILES notation for [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol?
The canonical SMILES for [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol is COCc1nc(C)cc(N[C@@H]2CCCCC[C@H]2CO)n1.
What is the InChIKey of [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol?
The InChIKey is RIGSOAZHDDBMAO-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-8-14(18-15(16-11)10-20-2)17-13-7-5-3-4-6-12(13)9-19/h8,12-13,19H,3-7,9-10H2,1-2H3,(H,16,17,18)/t12-,13+/m0/s1.
What are the key properties of [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol?
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol has a molecular weight of 279.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol is sourced from PubChem (CID 97223315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).