4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

C18H22N8O — CID 155562235

IUPAC4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2ccncn2)C2CCCC2)n1
InChIInChI=1S/C18H22N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)12-14-5-6-20-13-21-14/h5-6,13,15H,1-4,7-10,12H2
InChIKeySIYUTFCZRAHSMQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.32
Rot. Bonds5

About 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile

4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 155562235) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID155562235
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESN#Cc1nc(N2CCOCC2)nc(N(Cc2ccncn2)C2CCCC2)n1
InChIInChI=1S/C18H22N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)12-14-5-6-20-13-21-14/h5-6,13,15H,1-4,7-10,12H2
InChIKeySIYUTFCZRAHSMQ-UHFFFAOYSA-N
XLogP1.32
TPSA103.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 155562235) is 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is N#Cc1nc(N2CCOCC2)nc(N(Cc2ccncn2)C2CCCC2)n1.
What is the InChIKey of 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is SIYUTFCZRAHSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)12-14-5-6-20-13-21-14/h5-6,13,15H,1-4,7-10,12H2.
What are the key properties of 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 366.43 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(pyrimidin-4-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 155562235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).