6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine

C16H20ClN3O — CID 114943692

IUPAC6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
SMILESCCOC(C)(C)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-21-16(2,3)11-18-14-10-13(17)19-15(20-14)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyOZYXACPUNVDPCQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.02
Rot. Bonds6

About 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine

6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine (PubChem CID 114943692) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
PubChem CID114943692
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
SMILESCCOC(C)(C)CNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20ClN3O/c1-4-21-16(2,3)11-18-14-10-13(17)19-15(20-14)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,18,19,20)
InChIKeyOZYXACPUNVDPCQ-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
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
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653
6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 88834197
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyrimidin-4-amine
CID 115914776

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine (CID 114943692) is 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine is CCOC(C)(C)CNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine?
The InChIKey is OZYXACPUNVDPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-21-16(2,3)11-18-14-10-13(17)19-15(20-14)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine?
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 114943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).