2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C17H20F3N5O2 — CID 175353440

IUPAC2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCC(C)C(C)Nc1nccc(C(=O)Nc2cnccc2OC(F)C(F)F)n1
InChIInChI=1S/C17H20F3N5O2/c1-9(2)10(3)23-17-22-7-4-11(25-17)16(26)24-12-8-21-6-5-13(12)27-15(20)14(18)19/h4-10,14-15H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyMVRMAWHRLVRTGQ-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.52
Rot. Bonds8

About 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 175353440) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID175353440
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCC(C)C(C)Nc1nccc(C(=O)Nc2cnccc2OC(F)C(F)F)n1
InChIInChI=1S/C17H20F3N5O2/c1-9(2)10(3)23-17-22-7-4-11(25-17)16(26)24-12-8-21-6-5-13(12)27-15(20)14(18)19/h4-10,14-15H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyMVRMAWHRLVRTGQ-UHFFFAOYSA-N
XLogP3.52
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxamide
CID 175353421
2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556726
2-chloro-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 175353377
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
2-(4-chloro-2-fluoroanilino)-N-[4-(1,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 175353463
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556610
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-(2-methoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304794
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 175353440) is 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is CC(C)C(C)Nc1nccc(C(=O)Nc2cnccc2OC(F)C(F)F)n1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is MVRMAWHRLVRTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-9(2)10(3)23-17-22-7-4-11(25-17)16(26)24-12-8-21-6-5-13(12)27-15(20)14(18)19/h4-10,14-15H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175353440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).