4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

C16H27N5O — CID 19138505

IUPAC4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(OC3CCCCC3)c2N)CC1
InChIInChI=1S/C16H27N5O/c1-2-20-8-10-21(11-9-20)15-14(17)16(19-12-18-15)22-13-6-4-3-5-7-13/h12-13H,2-11,17H2,1H3
InChIKeyXPTZLJWJKMWMCH-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.91
Rot. Bonds4

About 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine

4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19138505) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19138505
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
SMILESCCN1CCN(c2ncnc(OC3CCCCC3)c2N)CC1
InChIInChI=1S/C16H27N5O/c1-2-20-8-10-21(11-9-20)15-14(17)16(19-12-18-15)22-13-6-4-3-5-7-13/h12-13H,2-11,17H2,1H3
InChIKeyXPTZLJWJKMWMCH-UHFFFAOYSA-N
XLogP1.91
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine (CID 19138505) is 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine is CCN1CCN(c2ncnc(OC3CCCCC3)c2N)CC1.
What is the InChIKey of 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is XPTZLJWJKMWMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-20-8-10-21(11-9-20)15-14(17)16(19-12-18-15)22-13-6-4-3-5-7-13/h12-13H,2-11,17H2,1H3.
What are the key properties of 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine?
4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 305.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19138505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).