6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide

C17H17F2N3O2 — CID 154844650

IUPAC6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide
SMILESCC1(C)CCc2cc(NC(=O)c3cc(C(F)F)ncn3)ccc2O1
InChIInChI=1S/C17H17F2N3O2/c1-17(2)6-5-10-7-11(3-4-14(10)24-17)22-16(23)13-8-12(15(18)19)20-9-21-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,22,23)
InChIKeyWNIVVXQXPRIKRW-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.77
Rot. Bonds3

About 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide

6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide (PubChem CID 154844650) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide
PubChem CID154844650
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide
SMILESCC1(C)CCc2cc(NC(=O)c3cc(C(F)F)ncn3)ccc2O1
InChIInChI=1S/C17H17F2N3O2/c1-17(2)6-5-10-7-11(3-4-14(10)24-17)22-16(23)13-8-12(15(18)19)20-9-21-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,22,23)
InChIKeyWNIVVXQXPRIKRW-UHFFFAOYSA-N
XLogP3.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide (CID 154844650) is 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide is CC1(C)CCc2cc(NC(=O)c3cc(C(F)F)ncn3)ccc2O1.
What is the InChIKey of 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide?
The InChIKey is WNIVVXQXPRIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-17(2)6-5-10-7-11(3-4-14(10)24-17)22-16(23)13-8-12(15(18)19)20-9-21-13/h3-4,7-9,15H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 154844650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).