4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine

C16H20N4 — CID 115915296

IUPAC4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCN(c1cc(N)nc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C16H20N4/c1-20(13-9-5-6-10-13)15-11-14(17)18-16(19-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H2,17,18,19)
InChIKeyMFYQCQZTJHILBB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.10
Rot. Bonds3

About 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine

4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 115915296) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
PubChem CID115915296
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
SMILESCN(c1cc(N)nc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C16H20N4/c1-20(13-9-5-6-10-13)15-11-14(17)18-16(19-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H2,17,18,19)
InChIKeyMFYQCQZTJHILBB-UHFFFAOYSA-N
XLogP3.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine (CID 115915296) is 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine is CN(c1cc(N)nc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is MFYQCQZTJHILBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(13-9-5-6-10-13)15-11-14(17)18-16(19-15)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H2,17,18,19).
What are the key properties of 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 115915296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).