N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine

C21H25N5 — CID 21149287

IUPACN"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine
SMILESCc1cc(C)nc(NC(N)NCC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H25N5/c1-15-13-16(2)25-21(24-15)26-20(22)23-14-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,19-20,23H,14,22H2,1-2H3,(H,24,25,26)
InChIKeyZWPRZTTZSZYQTM-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.17
Rot. Bonds7

About N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine

N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine (PubChem CID 21149287) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine.

Molecular Properties

Compound NameN"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine
PubChem CID21149287
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine
SMILESCc1cc(C)nc(NC(N)NCC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H25N5/c1-15-13-16(2)25-21(24-15)26-20(22)23-14-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,19-20,23H,14,22H2,1-2H3,(H,24,25,26)
InChIKeyZWPRZTTZSZYQTM-UHFFFAOYSA-N
XLogP3.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.17
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"-(4,6-dimethylpyrimidin-2-yl)-N'-(2-thiophen-2-ylethyl)methanetriamine
CID 21149282
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
4,6-dimethyl-N-(1-phenylpent-4-enyl)pyrimidin-2-amine
CID 133394906
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
N"-(4,6-diethylpyrimidin-2-yl)-N'-(2-phenylethyl)methanetriamine
CID 21149289
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62876566
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552024
2-N-(4,6-dimethylpyrimidin-2-yl)propane-1,2-diamine
CID 63732356
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158

Frequently Asked Questions

What is the IUPAC name of N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine?
The IUPAC name of N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine (CID 21149287) is N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine.
What is the SMILES notation for N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine?
The canonical SMILES for N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine is Cc1cc(C)nc(NC(N)NCC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine?
The InChIKey is ZWPRZTTZSZYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-13-16(2)25-21(24-15)26-20(22)23-14-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,19-20,23H,14,22H2,1-2H3,(H,24,25,26).
What are the key properties of N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine?
N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine has a molecular weight of 347.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(4,6-dimethylpyrimidin-2-yl)-N'-(2,2-diphenylethyl)methanetriamine is sourced from PubChem (CID 21149287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).