4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

C16H22N4 — CID 80817660

IUPAC4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)c2ccc(C)cc2)ncn1
InChIInChI=1S/C16H22N4/c1-4-10-17-15-11-16(19-12-18-15)20(5-2)14-8-6-13(3)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyNEFPQRXVSMHECX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.76
Rot. Bonds6

About 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine

4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80817660) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80817660
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(CC)c2ccc(C)cc2)ncn1
InChIInChI=1S/C16H22N4/c1-4-10-17-15-11-16(19-12-18-15)20(5-2)14-8-6-13(3)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyNEFPQRXVSMHECX-UHFFFAOYSA-N
XLogP3.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
3-(N-[6-(propylamino)pyrimidin-4-yl]anilino)propanenitrile
CID 80729532
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
CID 62294939
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine (CID 80817660) is 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(CC)c2ccc(C)cc2)ncn1.
What is the InChIKey of 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NEFPQRXVSMHECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-10-17-15-11-16(19-12-18-15)20(5-2)14-8-6-13(3)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80817660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).