2-(oxan-3-ylamino)pyrimidine-4-carbonitrile

C10H12N4O — CID 107544503

IUPAC2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCOC2)n1
InChIInChI=1S/C10H12N4O/c11-6-8-3-4-12-10(13-8)14-9-2-1-5-15-7-9/h3-4,9H,1-2,5,7H2,(H,12,13,14)
InChIKeyFYKXLONNFMUNLE-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.94
Rot. Bonds2

About 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile

2-(oxan-3-ylamino)pyrimidine-4-carbonitrile (PubChem CID 107544503) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
PubChem CID107544503
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCOC2)n1
InChIInChI=1S/C10H12N4O/c11-6-8-3-4-12-10(13-8)14-9-2-1-5-15-7-9/h3-4,9H,1-2,5,7H2,(H,12,13,14)
InChIKeyFYKXLONNFMUNLE-UHFFFAOYSA-N
XLogP0.94
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
2-[(4-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543494
2-[(3-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543643
N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559210
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674
2-[(2-aminocyclopentyl)amino]pyrimidine-4-carbonitrile
CID 107552495
2-[(2-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543459
6-(oxolan-3-ylamino)pyridine-2-carbonitrile
CID 80713825
2-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333489
2-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333491
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile (CID 107544503) is 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile is N#Cc1ccnc(NC2CCCOC2)n1.
What is the InChIKey of 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is FYKXLONNFMUNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-6-8-3-4-12-10(13-8)14-9-2-1-5-15-7-9/h3-4,9H,1-2,5,7H2,(H,12,13,14).
What are the key properties of 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile?
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).