4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide

C10H12F4N4O2 — CID 103477251

IUPAC4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
SMILESCc1nc(COCC(F)(F)C(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C10H12F4N4O2/c1-4-6(8(16)19)7(15)18-5(17-4)2-20-3-10(13,14)9(11)12/h9H,2-3H2,1H3,(H2,16,19)(H2,15,17,18)
InChIKeyLXRXQPRVLTXOSL-UHFFFAOYSA-N
MW296.22 g/mol
LogP0.88
Rot. Bonds6

About 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide

4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide (PubChem CID 103477251) has the molecular formula C10H12F4N4O2 and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
PubChem CID103477251
Molecular FormulaC10H12F4N4O2
Molecular Weight296.22 g/mol
Exact Mass296.09
IUPAC Name4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
SMILESCc1nc(COCC(F)(F)C(F)F)nc(N)c1C(N)=O
InChIInChI=1S/C10H12F4N4O2/c1-4-6(8(16)19)7(15)18-5(17-4)2-20-3-10(13,14)9(11)12/h9H,2-3H2,1H3,(H2,16,19)(H2,15,17,18)
InChIKeyLXRXQPRVLTXOSL-UHFFFAOYSA-N
XLogP0.88
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476292
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
4-chloro-5-iodo-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473568
5-iodo-N,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476257
5-iodo-6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476348
ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 116647711
methyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylate
CID 103473424
6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476333
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 103151376
4,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136967812
4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473554

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide (CID 103477251) is 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide is Cc1nc(COCC(F)(F)C(F)F)nc(N)c1C(N)=O.
What is the InChIKey of 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide?
The InChIKey is LXRXQPRVLTXOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4O2/c1-4-6(8(16)19)7(15)18-5(17-4)2-20-3-10(13,14)9(11)12/h9H,2-3H2,1H3,(H2,16,19)(H2,15,17,18).
What are the key properties of 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide?
4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide has a molecular weight of 296.22 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 103477251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).