N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C21H21N5 — CID 99801280

IUPACN-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H](C)C(c2ccccc2)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C21H21N5/c1-15-13-19(26-21(24-15)22-14-23-26)25-16(2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,25H,1-2H3/t16-/m0/s1
InChIKeyOOSWQSMVCDCQOV-INIZCTEOSA-N
MW343.43 g/mol
LogP4.07
Rot. Bonds5

About N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 99801280) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID99801280
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N[C@@H](C)C(c2ccccc2)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C21H21N5/c1-15-13-19(26-21(24-15)22-14-23-26)25-16(2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,25H,1-2H3/t16-/m0/s1
InChIKeyOOSWQSMVCDCQOV-INIZCTEOSA-N
XLogP4.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
5-methyl-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414822
5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324638
5-methyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 45353356
5-methyl-N-[(1R)-1-[4-(1-methylcyclopropyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 134611496
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63091597

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 99801280) is N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N[C@@H](C)C(c2ccccc2)c2ccccc2)n2ncnc2n1.
What is the InChIKey of N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OOSWQSMVCDCQOV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21N5/c1-15-13-19(26-21(24-15)22-14-23-26)25-16(2)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,25H,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-diphenylpropan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 99801280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).