N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

C17H23N3 — CID 10563926

IUPACN-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCCN(c1ccc(C(C)C)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C17H23N3/c1-6-20(17-18-13(4)11-14(5)19-17)16-9-7-15(8-10-16)12(2)3/h7-12H,6H2,1-5H3
InChIKeyKRBLSNPASGDBQL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds4

About N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine

N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (PubChem CID 10563926) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
PubChem CID10563926
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
SMILESCCN(c1ccc(C(C)C)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C17H23N3/c1-6-20(17-18-13(4)11-14(5)19-17)16-9-7-15(8-10-16)12(2)3/h7-12H,6H2,1-5H3
InChIKeyKRBLSNPASGDBQL-UHFFFAOYSA-N
XLogP4.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-(4-Phenylphenyl)pyrimidine
CID 817541

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine (CID 10563926) is N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is CCN(c1ccc(C(C)C)cc1)c1nc(C)cc(C)n1.
What is the InChIKey of N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is KRBLSNPASGDBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-6-20(17-18-13(4)11-14(5)19-17)16-9-7-15(8-10-16)12(2)3/h7-12H,6H2,1-5H3.
What are the key properties of N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine?
N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10563926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).