(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol

C14H24N4O2 — CID 99937329

IUPAC(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
SMILESCN(C)c1ncc(CN2CCC[C@](O)(CO)CC2)cn1
InChIInChI=1S/C14H24N4O2/c1-17(2)13-15-8-12(9-16-13)10-18-6-3-4-14(20,11-19)5-7-18/h8-9,19-20H,3-7,10-11H2,1-2H3/t14-/m1/s1
InChIKeyOPGGIIJQUABMFF-CQSZACIVSA-N
MW280.37 g/mol
LogP0.25
Rot. Bonds4

About (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol

(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol (PubChem CID 99937329) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol.

Molecular Properties

Compound Name(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
PubChem CID99937329
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
SMILESCN(C)c1ncc(CN2CCC[C@](O)(CO)CC2)cn1
InChIInChI=1S/C14H24N4O2/c1-17(2)13-15-8-12(9-16-13)10-18-6-3-4-14(20,11-19)5-7-18/h8-9,19-20H,3-7,10-11H2,1-2H3/t14-/m1/s1
InChIKeyOPGGIIJQUABMFF-CQSZACIVSA-N
XLogP0.25
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-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-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
(4R)-4-[(dimethylamino)methyl]-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]azepan-4-ol
CID 95712097
1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56886709
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 110249082
1-[(3,5-difluoro-4-methoxyphenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56883036
2-[4-[[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 99941147
4-(hydroxymethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56908922
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192
(4R)-1-[[1-(4-butylphenyl)pyrazol-4-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 95713969
N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
CID 110249083
N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77087221
1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 56755831

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol?
The IUPAC name of (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol (CID 99937329) is (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol.
What is the SMILES notation for (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol?
The canonical SMILES for (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol is CN(C)c1ncc(CN2CCC[C@](O)(CO)CC2)cn1.
What is the InChIKey of (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol?
The InChIKey is OPGGIIJQUABMFF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(2)13-15-8-12(9-16-13)10-18-6-3-4-14(20,11-19)5-7-18/h8-9,19-20H,3-7,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol?
(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol is sourced from PubChem (CID 99937329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).