5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine

C15H23ClN4O — CID 131931936

IUPAC5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine
SMILESClc1cnc(NC2(CN3CCOCC3)CCCCC2)nc1
InChIInChI=1S/C15H23ClN4O/c16-13-10-17-14(18-11-13)19-15(4-2-1-3-5-15)12-20-6-8-21-9-7-20/h10-11H,1-9,12H2,(H,17,18,19)
InChIKeyAWRNTBVKSHBVLA-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.58
Rot. Bonds4

About 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine

5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine (PubChem CID 131931936) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine
PubChem CID131931936
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine
SMILESClc1cnc(NC2(CN3CCOCC3)CCCCC2)nc1
InChIInChI=1S/C15H23ClN4O/c16-13-10-17-14(18-11-13)19-15(4-2-1-3-5-15)12-20-6-8-21-9-7-20/h10-11H,1-9,12H2,(H,17,18,19)
InChIKeyAWRNTBVKSHBVLA-UHFFFAOYSA-N
XLogP2.58
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine (CID 131931936) is 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine is Clc1cnc(NC2(CN3CCOCC3)CCCCC2)nc1.
What is the InChIKey of 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine?
The InChIKey is AWRNTBVKSHBVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c16-13-10-17-14(18-11-13)19-15(4-2-1-3-5-15)12-20-6-8-21-9-7-20/h10-11H,1-9,12H2,(H,17,18,19).
What are the key properties of 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine?
5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine has a molecular weight of 310.83 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 131931936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).