2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

C16H20N4 — CID 112884385

IUPAC2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H20N4/c1-20(14-9-3-2-4-10-14)15-11-12-17-16(19-15)18-13-7-5-6-8-13/h2-4,9-13H,5-8H2,1H3,(H,17,18,19)
InChIKeyATLDSSYWFIMIMR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.60
Rot. Bonds4

About 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112884385) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112884385
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H20N4/c1-20(14-9-3-2-4-10-14)15-11-12-17-16(19-15)18-13-7-5-6-8-13/h2-4,9-13H,5-8H2,1H3,(H,17,18,19)
InChIKeyATLDSSYWFIMIMR-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112884385) is 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is CN(c1ccccc1)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is ATLDSSYWFIMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(14-9-3-2-4-10-14)15-11-12-17-16(19-15)18-13-7-5-6-8-13/h2-4,9-13H,5-8H2,1H3,(H,17,18,19).
What are the key properties of 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).