5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

C19H21F2N7O — CID 44589050

IUPAC5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESNC(=O)c1c(Nc2cc(F)cc(F)c2)nc(N[C@H]2CCCC[C@H]2N)n2ccnc12
InChIInChI=1S/C19H21F2N7O/c20-10-7-11(21)9-12(8-10)25-17-15(16(23)29)18-24-5-6-28(18)19(27-17)26-14-4-2-1-3-13(14)22/h5-9,13-14,25H,1-4,22H2,(H2,23,29)(H,26,27)/t13-,14+/m1/s1
InChIKeyWTBBLBQFQMOQBJ-KGLIPLIRSA-N
MW401.42 g/mol
LogP2.53
Rot. Bonds5

About 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (PubChem CID 44589050) has the molecular formula C19H21F2N7O and a molecular weight of 401.42 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
PubChem CID44589050
Molecular FormulaC19H21F2N7O
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
SMILESNC(=O)c1c(Nc2cc(F)cc(F)c2)nc(N[C@H]2CCCC[C@H]2N)n2ccnc12
InChIInChI=1S/C19H21F2N7O/c20-10-7-11(21)9-12(8-10)25-17-15(16(23)29)18-24-5-6-28(18)19(27-17)26-14-4-2-1-3-13(14)22/h5-9,13-14,25H,1-4,22H2,(H2,23,29)(H,26,27)/t13-,14+/m1/s1
InChIKeyWTBBLBQFQMOQBJ-KGLIPLIRSA-N
XLogP2.53
TPSA123.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethylanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 44589051
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3,5-difluoroanilino)-1,2,4-triazine-6-carboxamide
CID 72705433
5-[[(2R)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 44565681
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[4-[2-[2-[2-[2-[[(2S)-1-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-3,5-dimethoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide
CID 170093933
2-[2-[2-[2-[3-[[8-carbamoyl-5-[[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-5-methylphenoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 159412740
2-[[(2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-5-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide
CID 118130264
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-[3-[2-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methoxyanilino]imidazo[1,2-c]pyrimidine-8-carboxamide
CID 159833170
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471
tert-butyl N-[(1R,2S)-2-[[8-carbamoyl-7-[3-methoxy-5-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]anilino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]carbamate
CID 138695805
5-(2-aminoethylamino)-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 25138153
5-[(1-tert-butylpiperidin-3-yl)methylamino]-7-(3,5-dimethoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
CID 71014860

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide (CID 44589050) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is NC(=O)c1c(Nc2cc(F)cc(F)c2)nc(N[C@H]2CCCC[C@H]2N)n2ccnc12.
What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
The InChIKey is WTBBLBQFQMOQBJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H21F2N7O/c20-10-7-11(21)9-12(8-10)25-17-15(16(23)29)18-24-5-6-28(18)19(27-17)26-14-4-2-1-3-13(14)22/h5-9,13-14,25H,1-4,22H2,(H2,23,29)(H,26,27)/t13-,14+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide?
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3,5-difluoroanilino)imidazo[1,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 44589050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).