6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine

C17H24N4 — CID 80939152

IUPAC6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-7-16-19-15(12-17(20-16)18-6-2)13-8-10-14(11-9-13)21(3)4/h8-12H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyNMBZVUDKRLHPQS-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.59
Rot. Bonds6

About 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine

6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine (PubChem CID 80939152) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
PubChem CID80939152
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)cc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-7-16-19-15(12-17(20-16)18-6-2)13-8-10-14(11-9-13)21(3)4/h8-12H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyNMBZVUDKRLHPQS-UHFFFAOYSA-N
XLogP3.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(dimethylamino)phenyl]-2-ethyl-N-methylpyrimidin-4-amine
CID 80936486
N-ethyl-6-(4-fluoro-3-methylphenyl)-2-propylpyrimidin-4-amine
CID 80946069
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
6-N-ethyl-4-N,4-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80946313
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
N,2-diethyl-6-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80936235
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
CID 55045579
6-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-propylpyrimidin-4-amine
CID 82804327
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine (CID 80939152) is 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine is CCCc1nc(NCC)cc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine?
The InChIKey is NMBZVUDKRLHPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-7-16-19-15(12-17(20-16)18-6-2)13-8-10-14(11-9-13)21(3)4/h8-12H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine?
6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-N-ethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).