1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

C12H18ClN3O — CID 80951237

IUPAC1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H18ClN3O/c1-12(2,17)7-16(3)10-6-9(13)14-11(15-10)8-4-5-8/h6,8,17H,4-5,7H2,1-3H3
InChIKeyCCANZGPGWGJHDV-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.21
Rot. Bonds4

About 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 80951237) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID80951237
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H18ClN3O/c1-12(2,17)7-16(3)10-6-9(13)14-11(15-10)8-4-5-8/h6,8,17H,4-5,7H2,1-3H3
InChIKeyCCANZGPGWGJHDV-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951461
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
CID 80953241
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 80953931
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
6-chloro-2-cyclopropyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyrimidin-4-amine
CID 133416487
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80951090
6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953768
6-chloro-2-cyclopropyl-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80953491

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol (CID 80951237) is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is CCANZGPGWGJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-12(2,17)7-16(3)10-6-9(13)14-11(15-10)8-4-5-8/h6,8,17H,4-5,7H2,1-3H3.
What are the key properties of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol?
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 255.75 g/mol, XLogP of 2.21, 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-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80951237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).