1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C14H16ClN3O — CID 112559667

IUPAC1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3O/c1-14(2,19)9-16-12-8-11(15)17-13(18-12)10-6-4-3-5-7-10/h3-8,19H,9H2,1-2H3,(H,16,17,18)
InChIKeyADTVBGNKMASRAI-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.98
Rot. Bonds4

About 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 112559667) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID112559667
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3O/c1-14(2,19)9-16-12-8-11(15)17-13(18-12)10-6-4-3-5-7-10/h3-8,19H,9H2,1-2H3,(H,16,17,18)
InChIKeyADTVBGNKMASRAI-UHFFFAOYSA-N
XLogP2.98
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
6-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpyrimidin-4-amine
CID 115914756
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine
CID 115914776
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 112559667) is 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is ADTVBGNKMASRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-14(2,19)9-16-12-8-11(15)17-13(18-12)10-6-4-3-5-7-10/h3-8,19H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 277.75 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 112559667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).