4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C19H27N5 — CID 22539296

IUPAC4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C19H27N5/c1-4-24(16-7-5-6-15(3)12-16)19-17(20)18(21-13-22-19)23-10-8-14(2)9-11-23/h5-7,12-14H,4,8-11,20H2,1-3H3
InChIKeyQUXOIXXDMHWMHX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.76
Rot. Bonds4

About 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 22539296) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID22539296
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCN(c1cccc(C)c1)c1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C19H27N5/c1-4-24(16-7-5-6-15(3)12-16)19-17(20)18(21-13-22-19)23-10-8-14(2)9-11-23/h5-7,12-14H,4,8-11,20H2,1-3H3
InChIKeyQUXOIXXDMHWMHX-UHFFFAOYSA-N
XLogP3.76
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 22539296) is 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is CCN(c1cccc(C)c1)c1ncnc(N2CCC(C)CC2)c1N.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is QUXOIXXDMHWMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-4-24(16-7-5-6-15(3)12-16)19-17(20)18(21-13-22-19)23-10-8-14(2)9-11-23/h5-7,12-14H,4,8-11,20H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 325.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22539296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).