5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine

C13H21F3N4 — CID 58008759

IUPAC5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/C13H21F3N4/c1-7(2)9(12(3,4)5)19-11-18-6-8(10(17)20-11)13(14,15)16/h6-7,9H,1-5H3,(H3,17,18,19,20)/t9-/m0/s1
InChIKeyUYIPBSXARHVIEO-VIFPVBQESA-N
MW290.33 g/mol
LogP3.56
Rot. Bonds3

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

5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine (PubChem CID 58008759) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine
PubChem CID58008759
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/C13H21F3N4/c1-7(2)9(12(3,4)5)19-11-18-6-8(10(17)20-11)13(14,15)16/h6-7,9H,1-5H3,(H3,17,18,19,20)/t9-/m0/s1
InChIKeyUYIPBSXARHVIEO-VIFPVBQESA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine (CID 58008759) is 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine is CC(C)[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.
What is the InChIKey of 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is UYIPBSXARHVIEO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21F3N4/c1-7(2)9(12(3,4)5)19-11-18-6-8(10(17)20-11)13(14,15)16/h6-7,9H,1-5H3,(H3,17,18,19,20)/t9-/m0/s1.
What are the key properties of 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 58008759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).