2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine

C16H22N4 — CID 171819508

IUPAC2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine
SMILESCC(C)CC(C)Nc1cnc(Nc2ccccc2)cn1
InChIInChI=1S/C16H22N4/c1-12(2)9-13(3)19-15-10-18-16(11-17-15)20-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNMNBHSBUBUDFIG-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.07
Rot. Bonds6

About 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine

2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine (PubChem CID 171819508) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine
PubChem CID171819508
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine
SMILESCC(C)CC(C)Nc1cnc(Nc2ccccc2)cn1
InChIInChI=1S/C16H22N4/c1-12(2)9-13(3)19-15-10-18-16(11-17-15)20-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyNMNBHSBUBUDFIG-UHFFFAOYSA-N
XLogP4.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2S)-4-methylpentan-2-yl]-1-N-phenylbenzene-1,2-diamine
CID 95479757
2-N-phenylpyrazine-2,5-diamine
CID 80652109
3-N-(5-methylhexan-2-yl)-6-N-phenyl-1,2,4-triazine-3,6-diamine
CID 171819736
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
5-methyl-N-phenylpyridin-2-amine
CID 12888062
2-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 20976948
6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
CID 97358406
4-(2,4-dimethylpentyl)-N-phenylaniline
CID 71054537
2-methyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 62785872
(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol
CID 124502835

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine?
The IUPAC name of 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine (CID 171819508) is 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine is CC(C)CC(C)Nc1cnc(Nc2ccccc2)cn1.
What is the InChIKey of 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine?
The InChIKey is NMNBHSBUBUDFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)9-13(3)19-15-10-18-16(11-17-15)20-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine?
2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine has a molecular weight of 270.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpentan-2-yl)-5-N-phenylpyrazine-2,5-diamine is sourced from PubChem (CID 171819508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).