N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C20H25FN6 — CID 110916233

IUPACN-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1ccc(N2CCN(c3cc(CNC4=NCCCN4)ccn3)CC2)cc1
InChIInChI=1S/C20H25FN6/c21-17-2-4-18(5-3-17)26-10-12-27(13-11-26)19-14-16(6-9-22-19)15-25-20-23-7-1-8-24-20/h2-6,9,14H,1,7-8,10-13,15H2,(H2,23,24,25)
InChIKeyWVQPKXCOCCJRMQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.99
Rot. Bonds4

About N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110916233) has the molecular formula C20H25FN6 and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110916233
Molecular FormulaC20H25FN6
Molecular Weight368.46 g/mol
Exact Mass368.21
IUPAC NameN-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFc1ccc(N2CCN(c3cc(CNC4=NCCCN4)ccn3)CC2)cc1
InChIInChI=1S/C20H25FN6/c21-17-2-4-18(5-3-17)26-10-12-27(13-11-26)19-14-16(6-9-22-19)15-25-20-23-7-1-8-24-20/h2-6,9,14H,1,7-8,10-13,15H2,(H2,23,24,25)
InChIKeyWVQPKXCOCCJRMQ-UHFFFAOYSA-N
XLogP1.99
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine with MolForge

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Related Compounds

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914658
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111109738
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065148
1-cyclopentyl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine
CID 110990749
1-[4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065147
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112951
1-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611596
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112950
1-butan-2-yl-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 110944191
5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969659

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110916233) is N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Fc1ccc(N2CCN(c3cc(CNC4=NCCCN4)ccn3)CC2)cc1.
What is the InChIKey of N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is WVQPKXCOCCJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6/c21-17-2-4-18(5-3-17)26-10-12-27(13-11-26)19-14-16(6-9-22-19)15-25-20-23-7-1-8-24-20/h2-6,9,14H,1,7-8,10-13,15H2,(H2,23,24,25).
What are the key properties of N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 368.46 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110916233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).