4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4 — CID 58009090

IUPAC4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H17F3N4/c1-6(10(2,3)4)17-8-7(11(12,13)14)5-16-9(15)18-8/h5-6H,1-4H3,(H3,15,16,17,18)
InChIKeyDOEDLMQUYHMFMQ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.92
Rot. Bonds2

About 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 58009090) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID58009090
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H17F3N4/c1-6(10(2,3)4)17-8-7(11(12,13)14)5-16-9(15)18-8/h5-6H,1-4H3,(H3,15,16,17,18)
InChIKeyDOEDLMQUYHMFMQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 58009090) is 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1C(F)(F)F)C(C)(C)C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DOEDLMQUYHMFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-6(10(2,3)4)17-8-7(11(12,13)14)5-16-9(15)18-8/h5-6H,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58009090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).