3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

C19H24FN7O3 — CID 71014801

IUPAC3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2nc(Nc3ccc(N4CCOCC4)nc3)ncc2F)C1
InChIInChI=1S/C19H24FN7O3/c20-15-11-22-18(25-17(15)23-14-2-1-5-27(12-14)19(28)29)24-13-3-4-16(21-10-13)26-6-8-30-9-7-26/h3-4,10-11,14H,1-2,5-9,12H2,(H,28,29)(H2,22,23,24,25)
InChIKeyMKTYWTHCXFFZCK-UHFFFAOYSA-N
MW417.45 g/mol
LogP2.15
Rot. Bonds5

About 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid

3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (PubChem CID 71014801) has the molecular formula C19H24FN7O3 and a molecular weight of 417.45 g/mol. Its IUPAC name is 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
PubChem CID71014801
Molecular FormulaC19H24FN7O3
Molecular Weight417.45 g/mol
Exact Mass417.19
IUPAC Name3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Nc2nc(Nc3ccc(N4CCOCC4)nc3)ncc2F)C1
InChIInChI=1S/C19H24FN7O3/c20-15-11-22-18(25-17(15)23-14-2-1-5-27(12-14)19(28)29)24-13-3-4-16(21-10-13)26-6-8-30-9-7-26/h3-4,10-11,14H,1-2,5-9,12H2,(H,28,29)(H2,22,23,24,25)
InChIKeyMKTYWTHCXFFZCK-UHFFFAOYSA-N
XLogP2.15
TPSA115.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-Ethyl-1-(4-fluorophenyl)-1-[2-(oxan-4-ylamino)pyrimidin-4-yl]urea
CID 16007140
1-ethyl-3-[4-[7-(5-fluoropyrimidin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67178880
Tert-butyl 4-[2-[[(4-fluorophenyl)-[2-(propan-2-ylamino)pyrimidin-4-yl]carbamoyl]amino]ethyl]piperazine-1-carboxylate
CID 44413065
N-(3-morpholin-4-ylpropyl)-2,6-dipyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 45488810
5,5''-(2-Morpholinopyrimidine-4,6-diyl)dipyrimidin-2-amine
CID 53322733
4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine
CID 91800576
6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
CID 118720012
5-fluoro-N2,N4-bis(4-morpholinophenyl)pyrimidine-2,4-diamine
CID 17313189
3-(2-fluorophenyl)-1-(4-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 44413000
8-Cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 76325167
N-[3-[[5-fluoro-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 44595547
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 58073676

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid (CID 71014801) is 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCCC(Nc2nc(Nc3ccc(N4CCOCC4)nc3)ncc2F)C1.
What is the InChIKey of 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is MKTYWTHCXFFZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O3/c20-15-11-22-18(25-17(15)23-14-2-1-5-27(12-14)19(28)29)24-13-3-4-16(21-10-13)26-6-8-30-9-7-26/h3-4,10-11,14H,1-2,5-9,12H2,(H,28,29)(H2,22,23,24,25).
What are the key properties of 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid?
3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 417.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 71014801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).