5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine

C25H31FN6 — CID 144599639

IUPAC5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESC=Cc1nc(-c2ccnc(N/C=C(/C)F)c2)nc(N(C)C2CCNC2)c1/C(=C\C)C1CC1
InChIInChI=1S/C25H31FN6/c1-5-20(17-7-8-17)23-21(6-2)30-24(31-25(23)32(4)19-10-11-27-15-19)18-9-12-28-22(13-18)29-14-16(3)26/h5-6,9,12-14,17,19,27H,2,7-8,10-11,15H2,1,3-4H3,(H,28,29)/b16-14-,20-5-
InChIKeyWIHDUQSOEFEVQW-UJANACNTSA-N
MW434.56 g/mol
LogP5.04
Rot. Bonds8

About 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine

5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 144599639) has the molecular formula C25H31FN6 and a molecular weight of 434.56 g/mol. Its IUPAC name is 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID144599639
Molecular FormulaC25H31FN6
Molecular Weight434.56 g/mol
Exact Mass434.26
IUPAC Name5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
SMILESC=Cc1nc(-c2ccnc(N/C=C(/C)F)c2)nc(N(C)C2CCNC2)c1/C(=C\C)C1CC1
InChIInChI=1S/C25H31FN6/c1-5-20(17-7-8-17)23-21(6-2)30-24(31-25(23)32(4)19-10-11-27-15-19)18-9-12-28-22(13-18)29-14-16(3)26/h5-6,9,12-14,17,19,27H,2,7-8,10-11,15H2,1,3-4H3,(H,28,29)/b16-14-,20-5-
InChIKeyWIHDUQSOEFEVQW-UJANACNTSA-N
XLogP5.04
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

5-cyclopropyl-2-[2-[[(1Z,3E)-2,4-difluorohepta-1,3,5,6-tetraenyl]amino]-4-pyridinyl]-N-(3-methoxypiperidin-4-yl)-N-methylpyrido[3,4-d]pyrimidin-4-amine
CID 176531938
5-cyclopropyl-2-[2-(2,6-difluoroanilino)-4-pyridinyl]-N-methyl-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 90098739
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyridine-4-carbonitrile
CID 71640983
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
5-bromo-N,2-dimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83844947
methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
CID 66284702
N-methyl-3-methylsulfonyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 114599260
5-cyclopropyl-N-methyl-2-[2-(2-phenoxyethylamino)-4-pyridinyl]-N-piperidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 118224984
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 90121735
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67062284
N,5-dimethyl-N-pyrrolidin-3-yl-1H-imidazol-2-amine
CID 106552565

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine (CID 144599639) is 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine is C=Cc1nc(-c2ccnc(N/C=C(/C)F)c2)nc(N(C)C2CCNC2)c1/C(=C\C)C1CC1.
What is the InChIKey of 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is WIHDUQSOEFEVQW-UJANACNTSA-N. The full InChI is InChI=1S/C25H31FN6/c1-5-20(17-7-8-17)23-21(6-2)30-24(31-25(23)32(4)19-10-11-27-15-19)18-9-12-28-22(13-18)29-14-16(3)26/h5-6,9,12-14,17,19,27H,2,7-8,10-11,15H2,1,3-4H3,(H,28,29)/b16-14-,20-5-.
What are the key properties of 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine?
5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 434.56 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-cyclopropylprop-1-enyl]-6-ethenyl-2-[2-[[(Z)-2-fluoroprop-1-enyl]amino]-4-pyridinyl]-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 144599639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).