1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

C12H19N3O — CID 115774269

IUPAC1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cnc(N(C)CC2(O)CCCC2)nc1
InChIInChI=1S/C12H19N3O/c1-10-7-13-11(14-8-10)15(2)9-12(16)5-3-4-6-12/h7-8,16H,3-6,9H2,1-2H3
InChIKeyYPIJLSUSYWHIGF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds3

About 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol

1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 115774269) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID115774269
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCc1cnc(N(C)CC2(O)CCCC2)nc1
InChIInChI=1S/C12H19N3O/c1-10-7-13-11(14-8-10)15(2)9-12(16)5-3-4-6-12/h7-8,16H,3-6,9H2,1-2H3
InChIKeyYPIJLSUSYWHIGF-UHFFFAOYSA-N
XLogP1.53
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950566
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
CID 115967591
1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114383264
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
1-[[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 104985489
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
1-[[(3,5-dimethylphenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321838
1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
1-[[(3-bromo-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952107
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol (CID 115774269) is 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is Cc1cnc(N(C)CC2(O)CCCC2)nc1.
What is the InChIKey of 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is YPIJLSUSYWHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-7-13-11(14-8-10)15(2)9-12(16)5-3-4-6-12/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115774269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).