6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine

C16H22N4 — CID 80821688

IUPAC6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(CC)c2ccccc2)c1C
InChIInChI=1S/C16H22N4/c1-4-14(13-9-7-6-8-10-13)20-16-12(3)15(17-5-2)18-11-19-16/h6-11,14H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyNXAUHAPSBUSIDW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.78
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 80821688) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID80821688
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(CC)c2ccccc2)c1C
InChIInChI=1S/C16H22N4/c1-4-14(13-9-7-6-8-10-13)20-16-12(3)15(17-5-2)18-11-19-16/h6-11,14H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyNXAUHAPSBUSIDW-UHFFFAOYSA-N
XLogP3.78
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80798116
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
1-ethyl-3-methyl-N-(1-phenylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 56730297
N-(2-chloro-1-phenylethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327620
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine (CID 80821688) is 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine is CCNc1ncnc(NC(CC)c2ccccc2)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is NXAUHAPSBUSIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-14(13-9-7-6-8-10-13)20-16-12(3)15(17-5-2)18-11-19-16/h6-11,14H,4-5H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80821688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).