4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide

C20H25N7O2 — CID 66783455

IUPAC4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCCN1c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
InChIInChI=1S/C20H25N7O2/c1-22-19(29)16-3-2-10-27(16)14-8-6-13(7-9-14)25-20-23-11-15(17(21)28)18(26-20)24-12-4-5-12/h6-9,11-12,16H,2-5,10H2,1H3,(H2,21,28)(H,22,29)(H2,23,24,25,26)
InChIKeyXYWGVHXAHLXUJH-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.61
Rot. Bonds7

About 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide (PubChem CID 66783455) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
PubChem CID66783455
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
SMILESCNC(=O)C1CCCN1c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1
InChIInChI=1S/C20H25N7O2/c1-22-19(29)16-3-2-10-27(16)14-8-6-13(7-9-14)25-20-23-11-15(17(21)28)18(26-20)24-12-4-5-12/h6-9,11-12,16H,2-5,10H2,1H3,(H2,21,28)(H,22,29)(H2,23,24,25,26)
InChIKeyXYWGVHXAHLXUJH-UHFFFAOYSA-N
XLogP1.61
TPSA125.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(tert-butylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 66783340
4-(cyclopropylmethylamino)-2-[4-[2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 66783663
4-(benzylamino)-2-[4-[(2S)-2-(methylcarbamoyl)piperidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 58014829
4-(cyclopropylamino)-2-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide
CID 58014756
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
4-(cyclobutylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014823
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
4-(cyclopropylamino)-2-[4-[4-(2-methoxyacetyl)piperazin-1-yl]anilino]pyrimidine-5-carboxamide
CID 44594663
2-[4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44539884
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide (CID 66783455) is 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide is CNC(=O)C1CCCN1c1ccc(Nc2ncc(C(N)=O)c(NC3CC3)n2)cc1.
What is the InChIKey of 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide?
The InChIKey is XYWGVHXAHLXUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-22-19(29)16-3-2-10-27(16)14-8-6-13(7-9-14)25-20-23-11-15(17(21)28)18(26-20)24-12-4-5-12/h6-9,11-12,16H,2-5,10H2,1H3,(H2,21,28)(H,22,29)(H2,23,24,25,26).
What are the key properties of 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[4-[2-(methylcarbamoyl)pyrrolidin-1-yl]anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 66783455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).