2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine

C16H20F2N6 — CID 166604798

IUPAC2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(Cc3c(F)cncc3F)CC2)n1
InChIInChI=1S/C16H20F2N6/c1-2-20-15-3-4-21-16(22-15)24-7-5-23(6-8-24)11-12-13(17)9-19-10-14(12)18/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,21,22)
InChIKeyRFPAEAJQGORUSR-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine

2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine (PubChem CID 166604798) has the molecular formula C16H20F2N6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
PubChem CID166604798
Molecular FormulaC16H20F2N6
Molecular Weight334.37 g/mol
Exact Mass334.17
IUPAC Name2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(Cc3c(F)cncc3F)CC2)n1
InChIInChI=1S/C16H20F2N6/c1-2-20-15-3-4-21-16(22-15)24-7-5-23(6-8-24)11-12-13(17)9-19-10-14(12)18/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,21,22)
InChIKeyRFPAEAJQGORUSR-UHFFFAOYSA-N
XLogP1.90
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 166604877
N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine
CID 165433124
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 163349475
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351031
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpyrimidin-4-amine
CID 50950844
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 144655908
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 166604628
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888098
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888087

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine (CID 166604798) is 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine is CCNc1ccnc(N2CCN(Cc3c(F)cncc3F)CC2)n1.
What is the InChIKey of 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine?
The InChIKey is RFPAEAJQGORUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6/c1-2-20-15-3-4-21-16(22-15)24-7-5-23(6-8-24)11-12-13(17)9-19-10-14(12)18/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,21,22).
What are the key properties of 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine?
2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine has a molecular weight of 334.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 166604798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).