2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide

C19H25FN6O3 — CID 19795935

IUPAC2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(F)cc1N1CCN(CC(O)CNc2nccc(C(N)=O)n2)CC1
InChIInChI=1S/C19H25FN6O3/c1-29-17-3-2-13(20)10-16(17)26-8-6-25(7-9-26)12-14(27)11-23-19-22-5-4-15(24-19)18(21)28/h2-5,10,14,27H,6-9,11-12H2,1H3,(H2,21,28)(H,22,23,24)
InChIKeyUXSUNOSQKBNGCA-UHFFFAOYSA-N
MW404.45 g/mol
LogP0.32
Rot. Bonds8

About 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide

2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide (PubChem CID 19795935) has the molecular formula C19H25FN6O3 and a molecular weight of 404.45 g/mol. Its IUPAC name is 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide
PubChem CID19795935
Molecular FormulaC19H25FN6O3
Molecular Weight404.45 g/mol
Exact Mass404.20
IUPAC Name2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide
SMILESCOc1ccc(F)cc1N1CCN(CC(O)CNc2nccc(C(N)=O)n2)CC1
InChIInChI=1S/C19H25FN6O3/c1-29-17-3-2-13(20)10-16(17)26-8-6-25(7-9-26)12-14(27)11-23-19-22-5-4-15(24-19)18(21)28/h2-5,10,14,27H,6-9,11-12H2,1H3,(H2,21,28)(H,22,23,24)
InChIKeyUXSUNOSQKBNGCA-UHFFFAOYSA-N
XLogP0.32
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethylamino]pyrimidine-4-carboxamide
CID 19795852
2-[[2-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propylamino]pyrimidine-4-carbonyl]amino]ethyl carbamate
CID 67791860
1-[5-fluoro-2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one
CID 57390285
[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] 3,4,5-trimethoxybenzoate
CID 110183536
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methoxypyrimidin-2-yl)amino]propan-2-ol
CID 32806067
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide
CID 19013268
(2-anilinopyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109310401
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133499674
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propanenitrile
CID 69080468
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide (CID 19795935) is 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide is COc1ccc(F)cc1N1CCN(CC(O)CNc2nccc(C(N)=O)n2)CC1.
What is the InChIKey of 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide?
The InChIKey is UXSUNOSQKBNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O3/c1-29-17-3-2-13(20)10-16(17)26-8-6-25(7-9-26)12-14(27)11-23-19-22-5-4-15(24-19)18(21)28/h2-5,10,14,27H,6-9,11-12H2,1H3,(H2,21,28)(H,22,23,24).
What are the key properties of 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide?
2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 19795935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).