2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine

C20H28N4 — CID 56768328

IUPAC2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC2CCCNC2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H28N4/c1-3-5-18-12-19(22-14-16-6-4-11-21-13-16)24-20(23-18)17-9-7-15(2)8-10-17/h7-10,12,16,21H,3-6,11,13-14H2,1-2H3,(H,22,23,24)
InChIKeyKTTGVUNCMPHYRS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine

2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 56768328) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
PubChem CID56768328
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC2CCCNC2)nc(-c2ccc(C)cc2)n1
InChIInChI=1S/C20H28N4/c1-3-5-18-12-19(22-14-16-6-4-11-21-13-16)24-20(23-18)17-9-7-15(2)8-10-17/h7-10,12,16,21H,3-6,11,13-14H2,1-2H3,(H,22,23,24)
InChIKeyKTTGVUNCMPHYRS-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine (CID 56768328) is 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC2CCCNC2)nc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is KTTGVUNCMPHYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-3-5-18-12-19(22-14-16-6-4-11-21-13-16)24-20(23-18)17-9-7-15(2)8-10-17/h7-10,12,16,21H,3-6,11,13-14H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine?
2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 56768328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).