5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine

C19H21N5 — CID 140545114

IUPAC5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCc1ccc(-c2c(N)nc(NCCc3ccccc3)nc2N)cc1
InChIInChI=1S/C19H21N5/c1-13-7-9-15(10-8-13)16-17(20)23-19(24-18(16)21)22-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H5,20,21,22,23,24)
InChIKeyPASIDOGILSEOBT-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.27
Rot. Bonds5

About 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine

5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine (PubChem CID 140545114) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
PubChem CID140545114
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCc1ccc(-c2c(N)nc(NCCc3ccccc3)nc2N)cc1
InChIInChI=1S/C19H21N5/c1-13-7-9-15(10-8-13)16-17(20)23-19(24-18(16)21)22-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H5,20,21,22,23,24)
InChIKeyPASIDOGILSEOBT-UHFFFAOYSA-N
XLogP3.27
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 83712714
2-N-(2-phenylethyl)-7H-purin-9-ium-2,6-diamine
CID 123419618
4,6-dihydrazinyl-N-(2-phenylethyl)pyrimidin-2-amine
CID 139976102
6-ethoxy-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 80778104
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-amino-5-oxido-6-phenyl-2-(2-phenylethylamino)pyrrolo[3,2-d]pyrimidin-5-ium-7-one
CID 46226453
9-benzyl-2-N-(2-phenylethyl)purine-2,6-diamine
CID 18332703
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 69188136
8-(furan-2-yl)-2-N-[2-(4-methylphenyl)ethyl]-7H-purine-2,6-diamine
CID 18982117
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine (CID 140545114) is 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine is Cc1ccc(-c2c(N)nc(NCCc3ccccc3)nc2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is PASIDOGILSEOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-7-9-15(10-8-13)16-17(20)23-19(24-18(16)21)22-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H5,20,21,22,23,24).
What are the key properties of 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 319.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 140545114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).