2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile

C12H18N4 — CID 114770092

IUPAC2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(CN)C(C)C)n1
InChIInChI=1S/C12H18N4/c1-8(2)11(7-14)16-12-5-10(6-13)4-9(3)15-12/h4-5,8,11H,7,14H2,1-3H3,(H,15,16)
InChIKeyPAFGYPWRJBNIBM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds4

About 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile

2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114770092) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114770092
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(CN)C(C)C)n1
InChIInChI=1S/C12H18N4/c1-8(2)11(7-14)16-12-5-10(6-13)4-9(3)15-12/h4-5,8,11H,7,14H2,1-3H3,(H,15,16)
InChIKeyPAFGYPWRJBNIBM-UHFFFAOYSA-N
XLogP1.66
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(2-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 114765995
2-(1-aminohexan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114770189
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
2-(4-hydroxybutan-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766557
2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
CID 65192439
3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
CID 65192341
methyl 2-[(4-cyano-6-methyl-2-pyridinyl)amino]-3-hydroxypropanoate
CID 114770412
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114766584
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile (CID 114770092) is 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC(CN)C(C)C)n1.
What is the InChIKey of 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is PAFGYPWRJBNIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8(2)11(7-14)16-12-5-10(6-13)4-9(3)15-12/h4-5,8,11H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile?
2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methylbutan-2-yl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).