5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile

C13H18N6O2 — CID 44565799

IUPAC5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(NC2CCOC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O2/c14-7-10-17-12(16-9-1-4-21-8-9)11(15)13(18-10)19-2-5-20-6-3-19/h9H,1-6,8,15H2,(H,16,17,18)
InChIKeyWOCQYAHWWSPUDN-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.03
Rot. Bonds3

About 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile

5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile (PubChem CID 44565799) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile
PubChem CID44565799
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(NC2CCOC2)c(N)c(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O2/c14-7-10-17-12(16-9-1-4-21-8-9)11(15)13(18-10)19-2-5-20-6-3-19/h9H,1-6,8,15H2,(H,16,17,18)
InChIKeyWOCQYAHWWSPUDN-UHFFFAOYSA-N
XLogP-0.03
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile (CID 44565799) is 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile is N#Cc1nc(NC2CCOC2)c(N)c(N2CCOCC2)n1.
What is the InChIKey of 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile?
The InChIKey is WOCQYAHWWSPUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c14-7-10-17-12(16-9-1-4-21-8-9)11(15)13(18-10)19-2-5-20-6-3-19/h9H,1-6,8,15H2,(H,16,17,18).
What are the key properties of 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile?
5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 44565799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).