2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide

C16H24F3N7O — CID 126536000

IUPAC2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide
SMILESCCNC1=C(C(F)(F)F)CN=C(Nc2cn(C(C)(C)C(=O)NC)nc2C)N1
InChIInChI=1S/C16H24F3N7O/c1-6-21-12-10(16(17,18)19)7-22-14(24-12)23-11-8-26(25-9(11)2)15(3,4)13(27)20-5/h8,21H,6-7H2,1-5H3,(H,20,27)(H2,22,23,24)
InChIKeyVTUIHAOOIBZHOA-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide

2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide (PubChem CID 126536000) has the molecular formula C16H24F3N7O and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide
PubChem CID126536000
Molecular FormulaC16H24F3N7O
Molecular Weight387.41 g/mol
Exact Mass387.20
IUPAC Name2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide
SMILESCCNC1=C(C(F)(F)F)CN=C(Nc2cn(C(C)(C)C(=O)NC)nc2C)N1
InChIInChI=1S/C16H24F3N7O/c1-6-21-12-10(16(17,18)19)7-22-14(24-12)23-11-8-26(25-9(11)2)15(3,4)13(27)20-5/h8,21H,6-7H2,1-5H3,(H,20,27)(H2,22,23,24)
InChIKeyVTUIHAOOIBZHOA-UHFFFAOYSA-N
XLogP1.43
TPSA95.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide (CID 126536000) is 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide is CCNC1=C(C(F)(F)F)CN=C(Nc2cn(C(C)(C)C(=O)NC)nc2C)N1.
What is the InChIKey of 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
The InChIKey is VTUIHAOOIBZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N7O/c1-6-21-12-10(16(17,18)19)7-22-14(24-12)23-11-8-26(25-9(11)2)15(3,4)13(27)20-5/h8,21H,6-7H2,1-5H3,(H,20,27)(H2,22,23,24).
What are the key properties of 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide?
2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide has a molecular weight of 387.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(ethylamino)-5-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 126536000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).