2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C20H29N5 — CID 46225982

IUPAC2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H29N5/c1-15(2)21-19-13-16(3)22-20(24-19)23-18-9-11-25(12-10-18)14-17-7-5-4-6-8-17/h4-8,13,15,18H,9-12,14H2,1-3H3,(H2,21,22,23,24)
InChIKeyZSOIDBHMNMMPJJ-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.68
Rot. Bonds6

About 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 46225982) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID46225982
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H29N5/c1-15(2)21-19-13-16(3)22-20(24-19)23-18-9-11-25(12-10-18)14-17-7-5-4-6-8-17/h4-8,13,15,18H,9-12,14H2,1-3H3,(H2,21,22,23,24)
InChIKeyZSOIDBHMNMMPJJ-UHFFFAOYSA-N
XLogP3.68
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 46225982) is 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC(C)C)nc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is ZSOIDBHMNMMPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-15(2)21-19-13-16(3)22-20(24-19)23-18-9-11-25(12-10-18)14-17-7-5-4-6-8-17/h4-8,13,15,18H,9-12,14H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 339.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).