4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine

C14H22N4O — CID 19137416

IUPAC4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(OC2CCCCC2)ncnc1N1CCCC1
InChIInChI=1S/C14H22N4O/c15-12-13(18-8-4-5-9-18)16-10-17-14(12)19-11-6-2-1-3-7-11/h10-11H,1-9,15H2
InChIKeyLBFYDZNPBXLQTC-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.37
Rot. Bonds3

About 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine

4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 19137416) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID19137416
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(OC2CCCCC2)ncnc1N1CCCC1
InChIInChI=1S/C14H22N4O/c15-12-13(18-8-4-5-9-18)16-10-17-14(12)19-11-6-2-1-3-7-11/h10-11H,1-9,15H2
InChIKeyLBFYDZNPBXLQTC-UHFFFAOYSA-N
XLogP2.37
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 19137416) is 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine is Nc1c(OC2CCCCC2)ncnc1N1CCCC1.
What is the InChIKey of 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is LBFYDZNPBXLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-13(18-8-4-5-9-18)16-10-17-14(12)19-11-6-2-1-3-7-11/h10-11H,1-9,15H2.
What are the key properties of 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine?
4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 262.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 19137416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).