7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C14H14ClFN4 — CID 141338260

IUPAC7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2c1CCC2c1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN4/c1-18-13-10-5-4-9(12(10)19-14(17)20-13)8-3-2-7(15)6-11(8)16/h2-3,6,9H,4-5H2,1H3,(H3,17,18,19,20)
InChIKeyRLAXPQHAHNEQQB-UHFFFAOYSA-N
MW292.75 g/mol
LogP2.97
Rot. Bonds2

About 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 141338260) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID141338260
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2c1CCC2c1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN4/c1-18-13-10-5-4-9(12(10)19-14(17)20-13)8-3-2-7(15)6-11(8)16/h2-3,6,9H,4-5H2,1H3,(H3,17,18,19,20)
InChIKeyRLAXPQHAHNEQQB-UHFFFAOYSA-N
XLogP2.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 141338260) is 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is CNc1nc(N)nc2c1CCC2c1ccc(Cl)cc1F.
What is the InChIKey of 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is RLAXPQHAHNEQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c1-18-13-10-5-4-9(12(10)19-14(17)20-13)8-3-2-7(15)6-11(8)16/h2-3,6,9H,4-5H2,1H3,(H3,17,18,19,20).
What are the key properties of 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 292.75 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141338260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).