N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine

C14H11ClFN5 — CID 154829347

IUPACN-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
SMILESFc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1Cl
InChIInChI=1S/C14H11ClFN5/c15-10-5-8(1-4-11(10)16)20-13-12-14(18-6-17-13)21(7-19-12)9-2-3-9/h1,4-7,9H,2-3H2,(H,17,18,20)
InChIKeyDFPDJQPKFTVZBY-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.70
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine

N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine (PubChem CID 154829347) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
PubChem CID154829347
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
SMILESFc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1Cl
InChIInChI=1S/C14H11ClFN5/c15-10-5-8(1-4-11(10)16)20-13-12-14(18-6-17-13)21(7-19-12)9-2-3-9/h1,4-7,9H,2-3H2,(H,17,18,20)
InChIKeyDFPDJQPKFTVZBY-UHFFFAOYSA-N
XLogP3.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-cyclopropyl-N-(2,3-difluorophenyl)purin-6-amine
CID 154829307
N-(3-chloro-4-fluorophenyl)-6-[3-(methylamino)-8-azabicyclo[3.2.1]octan-8-yl]pyrimido[5,4-d]pyrimidin-4-amine
CID 18946175
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 136544673
9-cyclopropyl-N-(2,6-dimethylphenyl)purin-6-amine
CID 163344743
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
N-(4-chloro-3-fluorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799237
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 167974744
1-azabicyclo[2.1.0]pentane;4-(3-chloro-4-fluoroanilino)-7-methoxyquinazoline-6-thiol
CID 175053931
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
N-(3-chloro-4-fluorophenyl)-6-cyclobutyloxypyrimido[5,4-d]pyrimidin-4-amine
CID 19709423
N-(3-chloro-4-fluorophenyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946241

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine (CID 154829347) is N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine is Fc1ccc(Nc2ncnc3c2ncn3C2CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine?
The InChIKey is DFPDJQPKFTVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-10-5-8(1-4-11(10)16)20-13-12-14(18-6-17-13)21(7-19-12)9-2-3-9/h1,4-7,9H,2-3H2,(H,17,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine?
N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine has a molecular weight of 303.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine is sourced from PubChem (CID 154829347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).