N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine

C19H24N6 — CID 133409272

IUPACN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(NCc2nncn2-c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C19H24N6/c1-13(2)16-10-17(23-19(22-16)14(3)4)20-11-18-24-21-12-25(18)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3,(H,20,22,23)
InChIKeyRVGHSUVNNKCISY-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.92
Rot. Bonds6

About N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine

N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine (PubChem CID 133409272) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
PubChem CID133409272
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
SMILESCC(C)c1cc(NCc2nncn2-c2ccccc2)nc(C(C)C)n1
InChIInChI=1S/C19H24N6/c1-13(2)16-10-17(23-19(22-16)14(3)4)20-11-18-24-21-12-25(18)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3,(H,20,22,23)
InChIKeyRVGHSUVNNKCISY-UHFFFAOYSA-N
XLogP3.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine with MolForge

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Related Compounds

4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957442
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 106304598
5-bromo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-3-amine
CID 84595860
5-nitro-6-phenyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyridin-2-amine
CID 133409271
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 119728210
3-(2-methylbutyl)-4-phenyl-1,2,4-triazole
CID 114877681
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 133409051
2-methyl-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 81071078
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine (CID 133409272) is N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine is CC(C)c1cc(NCc2nncn2-c2ccccc2)nc(C(C)C)n1.
What is the InChIKey of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
The InChIKey is RVGHSUVNNKCISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13(2)16-10-17(23-19(22-16)14(3)4)20-11-18-24-21-12-25(18)15-8-6-5-7-9-15/h5-10,12-14H,11H2,1-4H3,(H,20,22,23).
What are the key properties of N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine?
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 133409272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).