N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C18H18FN7 — CID 112899013

IUPACN-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESFc1ccccc1Nc1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H18FN7/c19-14-4-1-2-5-15(14)23-16-6-9-22-18(24-16)26-12-10-25(11-13-26)17-20-7-3-8-21-17/h1-9H,10-13H2,(H,22,23,24)
InChIKeySKVZASKZXRTAAL-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.48
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112899013) has the molecular formula C18H18FN7 and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112899013
Molecular FormulaC18H18FN7
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC NameN-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESFc1ccccc1Nc1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C18H18FN7/c19-14-4-1-2-5-15(14)23-16-6-9-22-18(24-16)26-12-10-25(11-13-26)17-20-7-3-8-21-17/h1-9H,10-13H2,(H,22,23,24)
InChIKeySKVZASKZXRTAAL-UHFFFAOYSA-N
XLogP2.48
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 134800523
[4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799983
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898510
N-[1-[4-(2-fluoroanilino)pyrimidin-2-yl]piperidin-4-yl]-2-methylbenzamide
CID 134796384
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
CID 134798788
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 80761249
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
[2-(2-fluoroanilino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109262279

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112899013) is N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Fc1ccccc1Nc1ccnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is SKVZASKZXRTAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7/c19-14-4-1-2-5-15(14)23-16-6-9-22-18(24-16)26-12-10-25(11-13-26)17-20-7-3-8-21-17/h1-9H,10-13H2,(H,22,23,24).
What are the key properties of N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 351.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112899013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).