3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile

C12H16N4O — CID 103468909

IUPAC3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
SMILESCC1OCCC1N(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H16N4O/c1-8-11(5-6-17-8)16(2)12-4-3-9(14)10(7-13)15-12/h3-4,8,11H,5-6,14H2,1-2H3
InChIKeyPRIWZTPJMWSAEB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds2

About 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile

3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile (PubChem CID 103468909) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
PubChem CID103468909
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
SMILESCC1OCCC1N(C)c1ccc(N)c(C#N)n1
InChIInChI=1S/C12H16N4O/c1-8-11(5-6-17-8)16(2)12-4-3-9(14)10(7-13)15-12/h3-4,8,11H,5-6,14H2,1-2H3
InChIKeyPRIWZTPJMWSAEB-UHFFFAOYSA-N
XLogP1.15
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 103467674
6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
CID 82741233
4-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
CID 82739079
4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772688
N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 82754773
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
CID 103468460
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
CID 82749051
3-amino-6-[(3-hydroxycyclobutyl)methyl-methylamino]pyridine-2-carbonitrile
CID 103468682
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745889
5-[methyl-(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 82737690

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile (CID 103468909) is 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile is CC1OCCC1N(C)c1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
The InChIKey is PRIWZTPJMWSAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-11(5-6-17-8)16(2)12-4-3-9(14)10(7-13)15-12/h3-4,8,11H,5-6,14H2,1-2H3.
What are the key properties of 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).