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

C17H22N4 — CID 122628505

IUPAC1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1nc2c(c(N(C)c3ccc(N(C)C)cc3)n1)CCC2
InChIInChI=1S/C17H22N4/c1-12-18-16-7-5-6-15(16)17(19-12)21(4)14-10-8-13(9-11-14)20(2)3/h8-11H,5-7H2,1-4H3
InChIKeyUAFPCVSZPTUYJA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.11
Rot. Bonds3

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

1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 122628505) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
PubChem CID122628505
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1nc2c(c(N(C)c3ccc(N(C)C)cc3)n1)CCC2
InChIInChI=1S/C17H22N4/c1-12-18-16-7-5-6-15(16)17(19-12)21(4)14-10-8-13(9-11-14)20(2)3/h8-11H,5-7H2,1-4H3
InChIKeyUAFPCVSZPTUYJA-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine (CID 122628505) is 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine is Cc1nc2c(c(N(C)c3ccc(N(C)C)cc3)n1)CCC2.
What is the InChIKey of 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is UAFPCVSZPTUYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-18-16-7-5-6-15(16)17(19-12)21(4)14-10-8-13(9-11-14)20(2)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-trimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 122628505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).