6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H20ClN3 — CID 80971019

IUPAC6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1cccc(Nc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C16H20ClN3/c1-5-12-7-6-8-13(9-12)18-16-11(4)14(17)19-15(20-16)10(2)3/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyYNHRHHJTVZSKSM-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.87
Rot. Bonds4

About 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80971019) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80971019
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCc1cccc(Nc2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C16H20ClN3/c1-5-12-7-6-8-13(9-12)18-16-11(4)14(17)19-15(20-16)10(2)3/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyYNHRHHJTVZSKSM-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972906
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
CID 80978315
6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981798
2-chloro-N-(3-ethylphenyl)-6-methylpyridin-3-amine
CID 139400879
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 104727798
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80971019) is 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCc1cccc(Nc2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YNHRHHJTVZSKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-5-12-7-6-8-13(9-12)18-16-11(4)14(17)19-15(20-16)10(2)3/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80971019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).