4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile

C10H14N4 — CID 66920870

IUPAC4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1nc(N)cc(N)c1C#N
InChIInChI=1S/C10H14N4/c1-6(2)3-9-7(5-11)8(12)4-10(13)14-9/h4,6H,3H2,1-2H3,(H4,12,13,14)
InChIKeyNJKRUGHYVVMYQU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds2

About 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile

4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 66920870) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID66920870
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1nc(N)cc(N)c1C#N
InChIInChI=1S/C10H14N4/c1-6(2)3-9-7(5-11)8(12)4-10(13)14-9/h4,6H,3H2,1-2H3,(H4,12,13,14)
InChIKeyNJKRUGHYVVMYQU-UHFFFAOYSA-N
XLogP1.32
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile
CID 21388964
6-amino-2-(2-methylpropyl)pyrimidine-4-carbonitrile
CID 116862607
4-amino-6-(2-methylpropyl)pyrimidine-2-carbonitrile
CID 131616898
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
3-chloro-5-(2-methylpropyl)pyridine-4-carbonitrile
CID 161221932
5,7-diamino-2-(2-methylpropyl)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 122194717
methyl (2S)-2-[[2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 25388111
2-amino-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 679608
4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile
CID 155949579
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
4-amino-3-(2-methylpropyl)benzonitrile
CID 146318653
4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile
CID 47068542

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile (CID 66920870) is 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile is CC(C)Cc1nc(N)cc(N)c1C#N.
What is the InChIKey of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is NJKRUGHYVVMYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-6(2)3-9-7(5-11)8(12)4-10(13)14-9/h4,6H,3H2,1-2H3,(H4,12,13,14).
What are the key properties of 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile?
4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 66920870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).