1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol

C12H18ClN3O — CID 80972496

IUPAC1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)CC(C)O
InChIInChI=1S/C12H18ClN3O/c1-7(17)6-16(3)12-8(2)10(13)14-11(15-12)9-4-5-9/h7,9,17H,4-6H2,1-3H3
InChIKeyZBTWHBQSMYYPRC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.13
Rot. Bonds4

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

1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 80972496) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID80972496
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1c(Cl)nc(C2CC2)nc1N(C)CC(C)O
InChIInChI=1S/C12H18ClN3O/c1-7(17)6-16(3)12-8(2)10(13)14-11(15-12)9-4-5-9/h7,9,17H,4-6H2,1-3H3
InChIKeyZBTWHBQSMYYPRC-UHFFFAOYSA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917517
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972466
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80973034
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917456
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80971759
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
N,N-dibutyl-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80973601
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80980363
6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80970762

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 80972496) is 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is Cc1c(Cl)nc(C2CC2)nc1N(C)CC(C)O.
What is the InChIKey of 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is ZBTWHBQSMYYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7(17)6-16(3)12-8(2)10(13)14-11(15-12)9-4-5-9/h7,9,17H,4-6H2,1-3H3.
What are the key properties of 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 255.75 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 80972496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).