2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

C14H22ClN5O — CID 64911494

IUPAC2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H22ClN5O/c15-12-17-13(16-9-10-5-1-2-6-11(10)21)19-14(18-12)20-7-3-4-8-20/h10-11,21H,1-9H2,(H,16,17,18,19)
InChIKeyLJLYMULKAPLJNP-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.09
Rot. Bonds4

About 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64911494) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64911494
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H22ClN5O/c15-12-17-13(16-9-10-5-1-2-6-11(10)21)19-14(18-12)20-7-3-4-8-20/h10-11,21H,1-9H2,(H,16,17,18,19)
InChIKeyLJLYMULKAPLJNP-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 64911494) is 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is LJLYMULKAPLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c15-12-17-13(16-9-10-5-1-2-6-11(10)21)19-14(18-12)20-7-3-4-8-20/h10-11,21H,1-9H2,(H,16,17,18,19).
What are the key properties of 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 311.82 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).