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

C16H20N4 — CID 122630788

IUPAC1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H20N4/c1-11-18-15-6-4-5-14(15)16(19-11)20(3)13-9-7-12(17-2)8-10-13/h7-10,17H,4-6H2,1-3H3
InChIKeyIZBVXDCIPKJNHH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds3

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

1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 122630788) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
PubChem CID122630788
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine
SMILESCNc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1
InChIInChI=1S/C16H20N4/c1-11-18-15-6-4-5-14(15)16(19-11)20(3)13-9-7-12(17-2)8-10-13/h7-10,17H,4-6H2,1-3H3
InChIKeyIZBVXDCIPKJNHH-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine (CID 122630788) is 1-N,4-N-dimethyl-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,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine is CNc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is IZBVXDCIPKJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-18-15-6-4-5-14(15)16(19-11)20(3)13-9-7-12(17-2)8-10-13/h7-10,17H,4-6H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 122630788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).