N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine

C17H25N5 — CID 21149289

IUPACN"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
SMILESCCc1cc(CC)nc(NC(N)NCCc2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-3-14-12-15(4-2)21-17(20-14)22-16(18)19-11-10-13-8-6-5-7-9-13/h5-9,12,16,19H,3-4,10-11,18H2,1-2H3,(H,20,21,22)
InChIKeyAULMLALUJQCACV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.09
Rot. Bonds8

About N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine

N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine (PubChem CID 21149289) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine.

Molecular Properties

Compound NameN"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
PubChem CID21149289
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC NameN"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
SMILESCCc1cc(CC)nc(NC(N)NCCc2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-3-14-12-15(4-2)21-17(20-14)22-16(18)19-11-10-13-8-6-5-7-9-13/h5-9,12,16,19H,3-4,10-11,18H2,1-2H3,(H,20,21,22)
InChIKeyAULMLALUJQCACV-UHFFFAOYSA-N
XLogP2.09
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N"-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
CID 21149293
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
1-N'-(2-phenylethyl)prop-2-ene-1,1-diamine
CID 173458068
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine
CID 21149287
2-(2-phenylethylamino)butan-1-ol
CID 17157372
6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62191554
(2S,3S)-3-methyl-N-(2-phenylethyl)pentan-2-amine
CID 28615648
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210
3-ethyl-2-N-(2-phenylethyl)pentane-1,2-diamine
CID 57365220
1-ethyl-2-(2-phenylethyl)hydrazine
CID 154352967

Frequently Asked Questions

What is the IUPAC name of N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
The IUPAC name of N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine (CID 21149289) is N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine.
What is the SMILES notation for N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
The canonical SMILES for N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine is CCc1cc(CC)nc(NC(N)NCCc2ccccc2)n1.
What is the InChIKey of N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
The InChIKey is AULMLALUJQCACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-14-12-15(4-2)21-17(20-14)22-16(18)19-11-10-13-8-6-5-7-9-13/h5-9,12,16,19H,3-4,10-11,18H2,1-2H3,(H,20,21,22).
What are the key properties of N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine?
N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine has a molecular weight of 299.42 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine is sourced from PubChem (CID 21149289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).