4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile

C15H22N6O2 — CID 166857102

IUPAC4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NN2CCOCC2)nc1N1CCCC(O)CC1
InChIInChI=1S/C15H22N6O2/c16-10-12-11-17-15(19-21-6-8-23-9-7-21)18-14(12)20-4-1-2-13(22)3-5-20/h11,13,22H,1-9H2,(H,17,18,19)
InChIKeyWRZORTQYAGDVSX-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.36
Rot. Bonds3

About 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile

4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile (PubChem CID 166857102) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile
PubChem CID166857102
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NN2CCOCC2)nc1N1CCCC(O)CC1
InChIInChI=1S/C15H22N6O2/c16-10-12-11-17-15(19-21-6-8-23-9-7-21)18-14(12)20-4-1-2-13(22)3-5-20/h11,13,22H,1-9H2,(H,17,18,19)
InChIKeyWRZORTQYAGDVSX-UHFFFAOYSA-N
XLogP0.36
TPSA97.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile (CID 166857102) is 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(NN2CCOCC2)nc1N1CCCC(O)CC1.
What is the InChIKey of 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is WRZORTQYAGDVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c16-10-12-11-17-15(19-21-6-8-23-9-7-21)18-14(12)20-4-1-2-13(22)3-5-20/h11,13,22H,1-9H2,(H,17,18,19).
What are the key properties of 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile?
4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyazepan-1-yl)-2-(morpholin-4-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 166857102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).