4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile

C13H18N6O — CID 171359665

IUPAC4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2COCC2N2CCCC2)nc1N
InChIInChI=1S/C13H18N6O/c14-5-9-6-16-13(18-12(9)15)17-10-7-20-8-11(10)19-3-1-2-4-19/h6,10-11H,1-4,7-8H2,(H3,15,16,17,18)
InChIKeyUSCNBOCQKWVCKS-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.21
Rot. Bonds3

About 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile

4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile (PubChem CID 171359665) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile
PubChem CID171359665
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NC2COCC2N2CCCC2)nc1N
InChIInChI=1S/C13H18N6O/c14-5-9-6-16-13(18-12(9)15)17-10-7-20-8-11(10)19-3-1-2-4-19/h6,10-11H,1-4,7-8H2,(H3,15,16,17,18)
InChIKeyUSCNBOCQKWVCKS-UHFFFAOYSA-N
XLogP0.21
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 95598765
4-amino-2-{[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]amino}pyrimidine-5-carbonitrile
CID 124218629
4-Amino-2-[(1,1-dimethyl-2-morpholin-4-ylethyl)amino]pyrimidine-5-carbonitrile
CID 129623989
4-N-(oxolan-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 176038277
5-fluoro-4-N,4-N-dimethyl-2-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]pyrimidine-2,4-diamine
CID 72874699
N-ethyl-5-fluoro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80812636
5-fluoro-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853100
5-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80854188
5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 82745896
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 82746007
4-[2-(2,2,2-Trifluoroethoxy)ethylamino]pyrimidine-5-carbonitrile
CID 112755131
5-fluoro-N-[rac-(3S,4R)-4-methoxytetrahydrofuran-3-yl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 122562967

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile (CID 171359665) is 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile is N#Cc1cnc(NC2COCC2N2CCCC2)nc1N.
What is the InChIKey of 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile?
The InChIKey is USCNBOCQKWVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-5-9-6-16-13(18-12(9)15)17-10-7-20-8-11(10)19-3-1-2-4-19/h6,10-11H,1-4,7-8H2,(H3,15,16,17,18).
What are the key properties of 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile?
4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-pyrrolidin-1-yloxolan-3-yl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 171359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).