2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile

C13H18N4O — CID 107545039

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H18N4O/c1-9-6-11(8-14)17-12(15-9)16-10-4-5-18-13(2,3)7-10/h6,10H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyHQMGNTPDKZPGCX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds2

About 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545039) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107545039
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H18N4O/c1-9-6-11(8-14)17-12(15-9)16-10-4-5-18-13(2,3)7-10/h6,10H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyHQMGNTPDKZPGCX-UHFFFAOYSA-N
XLogP2.03
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545041
N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115975318
2-(cyclopent-3-en-1-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545212
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carbonitrile
CID 113336612
5-[(2,2-dimethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 83029223
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552012
N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
CID 114072659
6-methyl-2-[(3-methyloxolan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107545238
2-[(2-aminocyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552420
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107545039) is 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is HQMGNTPDKZPGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-11(8-14)17-12(15-9)16-10-4-5-18-13(2,3)7-10/h6,10H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).