N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

C20H19ClFN5 — CID 112896431

IUPACN-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1Cl
InChIInChI=1S/C20H19ClFN5/c21-17-14-15(6-7-18(17)22)24-20-23-9-8-19(25-20)27-12-10-26(11-13-27)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,24,25)
InChIKeyCFDOFQQYYFBNBT-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.34
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine

N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112896431) has the molecular formula C20H19ClFN5 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112896431
Molecular FormulaC20H19ClFN5
Molecular Weight383.86 g/mol
Exact Mass383.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1Cl
InChIInChI=1S/C20H19ClFN5/c21-17-14-15(6-7-18(17)22)24-20-23-9-8-19(25-20)27-12-10-26(11-13-27)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,24,25)
InChIKeyCFDOFQQYYFBNBT-UHFFFAOYSA-N
XLogP4.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
N-(3-chlorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112898122
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922275
azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 145468383
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896582
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine (CID 112896431) is N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is CFDOFQQYYFBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5/c21-17-14-15(6-7-18(17)22)24-20-23-9-8-19(25-20)27-12-10-26(11-13-27)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 383.86 g/mol, XLogP of 4.34, 4 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)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112896431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).