N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride

C19H25ClFN5O2 — CID 142767264

IUPACN-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCCCc1cc(N2CC[C@H](NC(C)=O)C2)nc(Nc2ccc(F)c(O)c2)n1.Cl
InChIInChI=1S/C19H24FN5O2.ClH/c1-3-4-13-10-18(25-8-7-15(11-25)21-12(2)26)24-19(22-13)23-14-5-6-16(20)17(27)9-14;/h5-6,9-10,15,27H,3-4,7-8,11H2,1-2H3,(H,21,26)(H,22,23,24);1H/t15-;/m0./s1
InChIKeyQYCKHTHBNCZXQL-RSAXXLAASA-N
MW409.89 g/mol
LogP3.15
Rot. Bonds6

About N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride

N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 142767264) has the molecular formula C19H25ClFN5O2 and a molecular weight of 409.89 g/mol. Its IUPAC name is N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID142767264
Molecular FormulaC19H25ClFN5O2
Molecular Weight409.89 g/mol
Exact Mass409.17
IUPAC NameN-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCCCc1cc(N2CC[C@H](NC(C)=O)C2)nc(Nc2ccc(F)c(O)c2)n1.Cl
InChIInChI=1S/C19H24FN5O2.ClH/c1-3-4-13-10-18(25-8-7-15(11-25)21-12(2)26)24-19(22-13)23-14-5-6-16(20)17(27)9-14;/h5-6,9-10,15,27H,3-4,7-8,11H2,1-2H3,(H,21,26)(H,22,23,24);1H/t15-;/m0./s1
InChIKeyQYCKHTHBNCZXQL-RSAXXLAASA-N
XLogP3.15
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-[2-(4-chloro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332116
N-[1-[2-(4-fluoro-3-nitroanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332240
N-[1-[2-[4-fluoro-3-(trifluoromethyl)anilino]-6-propylpyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 121292682
[(3S)-1-[2-(4-fluoroanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 121332247
N-[1-[2-(4-amino-3-cyanoanilino)-6-butylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 121332227
4-butyl-6-[3-(ethylamino)pyrrolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)pyrimidin-2-amine;dihydrochloride
CID 121332076
5-[[4-[3-(ethylamino)piperidin-1-yl]-6-propylpyrimidin-2-yl]amino]-2-fluorobenzonitrile;dihydrochloride
CID 121292792
[1-[6-butyl-2-(3-cyano-4-methylanilino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 121332331
N-[4-[3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-1H-indol-6-amine;hydrochloride
CID 121332188
2-methyl-5-[[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propylpyrimidin-2-yl]amino]benzonitrile;hydrochloride
CID 121332321
1-N-[4-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]-4-chlorobenzene-1,3-diamine;dihydrochloride
CID 121332110
4-N-[4-[(3S)-3-aminopyrrolidin-1-yl]-6-propylpyrimidin-2-yl]-2-(trifluoromethyl)benzene-1,4-diamine;dihydrochloride
CID 121332354

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride (CID 142767264) is N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride is CCCc1cc(N2CC[C@H](NC(C)=O)C2)nc(Nc2ccc(F)c(O)c2)n1.Cl.
What is the InChIKey of N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is QYCKHTHBNCZXQL-RSAXXLAASA-N. The full InChI is InChI=1S/C19H24FN5O2.ClH/c1-3-4-13-10-18(25-8-7-15(11-25)21-12(2)26)24-19(22-13)23-14-5-6-16(20)17(27)9-14;/h5-6,9-10,15,27H,3-4,7-8,11H2,1-2H3,(H,21,26)(H,22,23,24);1H/t15-;/m0./s1.
What are the key properties of N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride?
N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 409.89 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(4-fluoro-3-hydroxyanilino)-6-propylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 142767264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).