[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone

C16H18FN5O2 — CID 138005571

IUPAC[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCOc1c(N)ncnc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H18FN5O2/c1-24-13-14(18)19-10-20-15(13)21-5-7-22(8-6-21)16(23)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8H2,1H3,(H2,18,19,20)
InChIKeyFLVJGUXWGCKFQV-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.17
Rot. Bonds3

About [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 138005571) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID138005571
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCOc1c(N)ncnc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H18FN5O2/c1-24-13-14(18)19-10-20-15(13)21-5-7-22(8-6-21)16(23)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8H2,1H3,(H2,18,19,20)
InChIKeyFLVJGUXWGCKFQV-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluorophenyl)-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 110874220
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 108749495
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802324
[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 108544554
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449
[4-(5-amino-2-methylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 96693276
[4-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 22585279
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
(3-aminophenyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888924
ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080739

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 138005571) is [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone is COc1c(N)ncnc1N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is FLVJGUXWGCKFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-24-13-14(18)19-10-20-15(13)21-5-7-22(8-6-21)16(23)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8H2,1H3,(H2,18,19,20).
What are the key properties of [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 331.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-5-methoxypyrimidin-4-yl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 138005571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).