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

C11H17F3N4 — CID 66629879

IUPAC2-N-[(3S)-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-/m0/s1
InChIKeyVUDMNUDNPXSOHN-QMMMGPOBSA-N
MW262.28 g/mol
LogP2.92
Rot. Bonds4

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

2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 66629879) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID66629879
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2-N-[(3S)-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-/m0/s1
InChIKeyVUDMNUDNPXSOHN-QMMMGPOBSA-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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Related Compounds

4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
US10266549, Example 168c
CID 118908038
N2,N4-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908048
1-(5-(Trifluoromethyl)pyrimidin-2-yl)ethan-1-amine hydrochloride
CID 167311280
1,3-Diethyl-2-[2-(5-methylpyrimidin-2-yl)ethyl]guanidine
CID 86781285
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
CID 97194897
5-fluoro-N~4~-methyl-N~2~-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 122569408
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351
2-N-[(2S)-2-(dimethylamino)pentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 125523390
5-[(2,2-Dimethylpropylamino)methyl]pyrimidine-2,4-diamine
CID 126823901
N-[(2-cyclopropylpyrimidin-5-yl)methyl]-3-methylcyclobutan-1-amine
CID 132362501
2-N-(dicyclopropylmethyl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 132412414

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 66629879) is 2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3S)-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-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VUDMNUDNPXSOHN-QMMMGPOBSA-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-/m0/s1.
What are the key properties of 2-N-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(3S)-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-[(3S)-2-methylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66629879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).