ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine

C16H25N5 — CID 91072276

IUPACethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC.Cc1nc(N)nc(N[C@H](C)CCc2ccccc2)n1
InChIInChI=1S/C14H19N5.C2H6/c1-10(8-9-12-6-4-3-5-7-12)16-14-18-11(2)17-13(15)19-14;1-2/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17,18,19);1-2H3/t10-;/m1./s1
InChIKeyHTEVPEZIXQSASF-HNCPQSOCSA-N
MW287.41 g/mol
LogP3.22
Rot. Bonds5

About ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine

ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 91072276) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID91072276
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Nameethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC.Cc1nc(N)nc(N[C@H](C)CCc2ccccc2)n1
InChIInChI=1S/C14H19N5.C2H6/c1-10(8-9-12-6-4-3-5-7-12)16-14-18-11(2)17-13(15)19-14;1-2/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17,18,19);1-2H3/t10-;/m1./s1
InChIKeyHTEVPEZIXQSASF-HNCPQSOCSA-N
XLogP3.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-N-[4-(3-methylthiophen-2-yl)butan-2-yl]-1,3,5-triazine-2,4-diamine
CID 22090865
2-N-[4-(2,5-dichlorothiophen-3-yl)butan-2-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090881
2-N-[1-(4-chlorophenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348659
6-(3,5-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 174933873
6-methyl-2-N-[1-(2-methylsulfanylphenyl)pentan-3-yl]-1,3,5-triazine-2,4-diamine
CID 21348603
6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
4-phenylbutan-2-ylhydrazine
CID 28622
2-N-[1-(3,4-dimethylphenyl)pentan-3-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 21348651
N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 20675899
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
N-(4-phenylbutan-2-yl)-4-(4-phenylphenyl)pyrimidin-2-amine
CID 171989250
6-(1-fluoroethyl)-2-N-(4-thiophen-3-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682194

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine (CID 91072276) is ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine is CC.Cc1nc(N)nc(N[C@H](C)CCc2ccccc2)n1.
What is the InChIKey of ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HTEVPEZIXQSASF-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H19N5.C2H6/c1-10(8-9-12-6-4-3-5-7-12)16-14-18-11(2)17-13(15)19-14;1-2/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17,18,19);1-2H3/t10-;/m1./s1.
What are the key properties of ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine?
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 287.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91072276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).