2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol

C10H16ClN3O — CID 104553285

IUPAC2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1nc(Cl)c(C)c(N(C)C(C)CO)n1
InChIInChI=1S/C10H16ClN3O/c1-6(5-15)14(4)10-7(2)9(11)12-8(3)13-10/h6,15H,5H2,1-4H3
InChIKeyHHVATTWFGNLGFA-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.56
Rot. Bonds3

About 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol

2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 104553285) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID104553285
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCc1nc(Cl)c(C)c(N(C)C(C)CO)n1
InChIInChI=1S/C10H16ClN3O/c1-6(5-15)14(4)10-7(2)9(11)12-8(3)13-10/h6,15H,5H2,1-4H3
InChIKeyHHVATTWFGNLGFA-UHFFFAOYSA-N
XLogP1.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]propan-1-ol
CID 104553306
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63730048
N-butan-2-yl-N-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63727976
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 63729834
4-chloro-2-methyl-6-[methyl(4-methylpentan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 80732291
2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol
CID 126590832
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80971580
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol (CID 104553285) is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol is Cc1nc(Cl)c(C)c(N(C)C(C)CO)n1.
What is the InChIKey of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is HHVATTWFGNLGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6(5-15)14(4)10-7(2)9(11)12-8(3)13-10/h6,15H,5H2,1-4H3.
What are the key properties of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104553285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).