2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide

C19H20F2N4O3 — CID 87426455

IUPAC2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide
SMILESCc1c(CNC(=O)c2ccnc(NC(=O)C3CC3)n2)cccc1OCC(F)F
InChIInChI=1S/C19H20F2N4O3/c1-11-13(3-2-4-15(11)28-10-16(20)21)9-23-18(27)14-7-8-22-19(24-14)25-17(26)12-5-6-12/h2-4,7-8,12,16H,5-6,9-10H2,1H3,(H,23,27)(H,22,24,25,26)
InChIKeyJLKAHIUMYXMUJS-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.71
Rot. Bonds8

About 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 87426455) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide
PubChem CID87426455
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide
SMILESCc1c(CNC(=O)c2ccnc(NC(=O)C3CC3)n2)cccc1OCC(F)F
InChIInChI=1S/C19H20F2N4O3/c1-11-13(3-2-4-15(11)28-10-16(20)21)9-23-18(27)14-7-8-22-19(24-14)25-17(26)12-5-6-12/h2-4,7-8,12,16H,5-6,9-10H2,1H3,(H,23,27)(H,22,24,25,26)
InChIKeyJLKAHIUMYXMUJS-UHFFFAOYSA-N
XLogP2.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide (CID 87426455) is 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide is Cc1c(CNC(=O)c2ccnc(NC(=O)C3CC3)n2)cccc1OCC(F)F.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is JLKAHIUMYXMUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c1-11-13(3-2-4-15(11)28-10-16(20)21)9-23-18(27)14-7-8-22-19(24-14)25-17(26)12-5-6-12/h2-4,7-8,12,16H,5-6,9-10H2,1H3,(H,23,27)(H,22,24,25,26).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[[3-(2,2-difluoroethoxy)-2-methylphenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 87426455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).