[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C12H20N4O — CID 80855981

IUPAC[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1nc(N)cc(NCC2CCCC2CO)n1
InChIInChI=1S/C12H20N4O/c1-8-15-11(13)5-12(16-8)14-6-9-3-2-4-10(9)7-17/h5,9-10,17H,2-4,6-7H2,1H3,(H3,13,14,15,16)
InChIKeyCNIQUHADHSWSMO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds4

About [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 80855981) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID80855981
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1nc(N)cc(NCC2CCCC2CO)n1
InChIInChI=1S/C12H20N4O/c1-8-15-11(13)5-12(16-8)14-6-9-3-2-4-10(9)7-17/h5,9-10,17H,2-4,6-7H2,1H3,(H3,13,14,15,16)
InChIKeyCNIQUHADHSWSMO-UHFFFAOYSA-N
XLogP1.19
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

[2-[[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80959887
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452
[2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66326317
[2-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549836
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80951232
[2-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80937943
[2-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 66278240
[2-[[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 102716000
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
[2-[[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106775857

Frequently Asked Questions

What is the IUPAC name of [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 80855981) is [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is Cc1nc(N)cc(NCC2CCCC2CO)n1.
What is the InChIKey of [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is CNIQUHADHSWSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-15-11(13)5-12(16-8)14-6-9-3-2-4-10(9)7-17/h5,9-10,17H,2-4,6-7H2,1H3,(H3,13,14,15,16).
What are the key properties of [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 80855981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).