4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine

C20H20N4 — CID 22695657

IUPAC4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1nc2c(c(Nc3ccc(Nc4ccccc4)cc3)n1)CCC2
InChIInChI=1S/C20H20N4/c1-14-21-19-9-5-8-18(19)20(22-14)24-17-12-10-16(11-13-17)23-15-6-3-2-4-7-15/h2-4,6-7,10-13,23H,5,8-9H2,1H3,(H,21,22,24)
InChIKeyIVTQEKGJQBHTEF-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.76
Rot. Bonds4

About 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine

4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 22695657) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID22695657
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1nc2c(c(Nc3ccc(Nc4ccccc4)cc3)n1)CCC2
InChIInChI=1S/C20H20N4/c1-14-21-19-9-5-8-18(19)20(22-14)24-17-12-10-16(11-13-17)23-15-6-3-2-4-7-15/h2-4,6-7,10-13,23H,5,8-9H2,1H3,(H,21,22,24)
InChIKeyIVTQEKGJQBHTEF-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine (CID 22695657) is 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine is Cc1nc2c(c(Nc3ccc(Nc4ccccc4)cc3)n1)CCC2.
What is the InChIKey of 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is IVTQEKGJQBHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-14-21-19-9-5-8-18(19)20(22-14)24-17-12-10-16(11-13-17)23-15-6-3-2-4-7-15/h2-4,6-7,10-13,23H,5,8-9H2,1H3,(H,21,22,24).
What are the key properties of 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine?
4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 22695657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).