6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine

C14H19N5 — CID 19135224

IUPAC6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(NC(C)c2ccccc2)c1N
InChIInChI=1S/C14H19N5/c1-3-16-13-12(15)14(18-9-17-13)19-10(2)11-7-5-4-6-8-11/h4-10H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyXONZOGLONNSOHM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.66
Rot. Bonds5

About 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine

6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19135224) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19135224
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCCNc1ncnc(NC(C)c2ccccc2)c1N
InChIInChI=1S/C14H19N5/c1-3-16-13-12(15)14(18-9-17-13)19-10(2)11-7-5-4-6-8-11/h4-10H,3,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyXONZOGLONNSOHM-UHFFFAOYSA-N
XLogP2.66
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine
CID 87198649
3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
CID 66699794
3-N-(1-phenylethyl)pyrazine-2,3-diamine
CID 66699795
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine (CID 19135224) is 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine is CCNc1ncnc(NC(C)c2ccccc2)c1N.
What is the InChIKey of 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is XONZOGLONNSOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-16-13-12(15)14(18-9-17-13)19-10(2)11-7-5-4-6-8-11/h4-10H,3,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 257.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).