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

C13H21N3O — CID 65122534

IUPAC1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCc1cnc(NCC2(O)CCCCCC2)nc1
InChIInChI=1S/C13H21N3O/c1-11-8-14-12(15-9-11)16-10-13(17)6-4-2-3-5-7-13/h8-9,17H,2-7,10H2,1H3,(H,14,15,16)
InChIKeyHIPZXTOKHYNLIF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.28
Rot. Bonds3

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

1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 65122534) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID65122534
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCc1cnc(NCC2(O)CCCCCC2)nc1
InChIInChI=1S/C13H21N3O/c1-11-8-14-12(15-9-11)16-10-13(17)6-4-2-3-5-7-13/h8-9,17H,2-7,10H2,1H3,(H,14,15,16)
InChIKeyHIPZXTOKHYNLIF-UHFFFAOYSA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{2-[{[2-(Ethylamino)pyrimidin-5-yl]methyl}(methyl)amino]ethyl}cyclopentanol
CID 77083595
1-[[(4-Pyrrolidin-1-ylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 99774265
[2-[[(5-Methylpyrimidin-2-yl)amino]methyl]spiro[3.3]heptan-2-yl]methanol
CID 128140099
1-({[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]amino}methyl)cyclohexanol
CID 72846043
1-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 79076203
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80827812
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842133
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842248
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842250
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842447
1-[[(2-Amino-5-fluoropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80842541
1-[[(2-Amino-5-fluoropyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80842740

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol (CID 65122534) is 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol is Cc1cnc(NCC2(O)CCCCCC2)nc1.
What is the InChIKey of 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is HIPZXTOKHYNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-8-14-12(15-9-11)16-10-13(17)6-4-2-3-5-7-13/h8-9,17H,2-7,10H2,1H3,(H,14,15,16).
What are the key properties of 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol?
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).