2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4 — CID 66629990

IUPAC2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)C
InChIInChI=1S/C11H17F3N4/c1-4-8(6(2)3)17-10-16-5-7(9(15)18-10)11(12,13)14/h5-6,8H,4H2,1-3H3,(H3,15,16,17,18)/t8-/m1/s1
InChIKeyVUDMNUDNPXSOHN-MRVPVSSYSA-N
MW262.28 g/mol
LogP2.92
Rot. Bonds4

About 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 66629990) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID66629990
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)C
InChIInChI=1S/C11H17F3N4/c1-4-8(6(2)3)17-10-16-5-7(9(15)18-10)11(12,13)14/h5-6,8H,4H2,1-3H3,(H3,15,16,17,18)/t8-/m1/s1
InChIKeyVUDMNUDNPXSOHN-MRVPVSSYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 66629990) is 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CC[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)C.
What is the InChIKey of 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VUDMNUDNPXSOHN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-8(6(2)3)17-10-16-5-7(9(15)18-10)11(12,13)14/h5-6,8H,4H2,1-3H3,(H3,15,16,17,18)/t8-/m1/s1.
What are the key properties of 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3R)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66629990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).