2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine

C17H21N7 — CID 152759050

IUPAC2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
SMILESCc1ncc(NC2=NC(N)(C(C)C)N=C(c3ccccc3)N2)cn1
InChIInChI=1S/C17H21N7/c1-11(2)17(18)23-15(13-7-5-4-6-8-13)22-16(24-17)21-14-9-19-12(3)20-10-14/h4-11H,18H2,1-3H3,(H2,21,22,23,24)
InChIKeyZAEDYHDNWQNXKD-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.87
Rot. Bonds3

About 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine

2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine (PubChem CID 152759050) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
PubChem CID152759050
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
SMILESCc1ncc(NC2=NC(N)(C(C)C)N=C(c3ccccc3)N2)cn1
InChIInChI=1S/C17H21N7/c1-11(2)17(18)23-15(13-7-5-4-6-8-13)22-16(24-17)21-14-9-19-12(3)20-10-14/h4-11H,18H2,1-3H3,(H2,21,22,23,24)
InChIKeyZAEDYHDNWQNXKD-UHFFFAOYSA-N
XLogP1.87
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine (CID 152759050) is 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine is Cc1ncc(NC2=NC(N)(C(C)C)N=C(c3ccccc3)N2)cn1.
What is the InChIKey of 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is ZAEDYHDNWQNXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-11(2)17(18)23-15(13-7-5-4-6-8-13)22-16(24-17)21-14-9-19-12(3)20-10-14/h4-11H,18H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpyrimidin-5-yl)-6-phenyl-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 152759050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).