6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine

C22H25N5 — CID 10546397

IUPAC6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2)nc(-c2ccccc2)nc1NC1CCCC1
InChIInChI=1S/C22H25N5/c23-19-21(24-15-16-9-3-1-4-10-16)26-20(17-11-5-2-6-12-17)27-22(19)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15,23H2,(H2,24,25,26,27)
InChIKeySTNVUDFLUKUEOX-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.69
Rot. Bonds6

About 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine

6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine (PubChem CID 10546397) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
PubChem CID10546397
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine
SMILESNc1c(NCc2ccccc2)nc(-c2ccccc2)nc1NC1CCCC1
InChIInChI=1S/C22H25N5/c23-19-21(24-15-16-9-3-1-4-10-16)26-20(17-11-5-2-6-12-17)27-22(19)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15,23H2,(H2,24,25,26,27)
InChIKeySTNVUDFLUKUEOX-UHFFFAOYSA-N
XLogP4.69
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine (CID 10546397) is 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine is Nc1c(NCc2ccccc2)nc(-c2ccccc2)nc1NC1CCCC1.
What is the InChIKey of 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine?
The InChIKey is STNVUDFLUKUEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c23-19-21(24-15-16-9-3-1-4-10-16)26-20(17-11-5-2-6-12-17)27-22(19)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15,23H2,(H2,24,25,26,27).
What are the key properties of 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine?
6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine has a molecular weight of 359.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-cyclopentyl-2-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 10546397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).