5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 59825969

IUPAC5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(CNCC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-7(5-16-9(14)17-8)4-15-3-6-1-2-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyXUWNWXCWIPCCQV-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.58
Rot. Bonds4

About 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 59825969) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID59825969
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(CNCC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-7(5-16-9(14)17-8)4-15-3-6-1-2-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyXUWNWXCWIPCCQV-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
5,6-Bis(trifluoromethyl)pyrimidine
CID 91164711
4,5-Dimethylpyrimidin-2-amine
CID 231290
4-(Trifluoromethyl)-5-methylpyrimidin-2-amine
CID 10773633
2-(Pyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidine hydrochloride
CID 132327527
N-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796047
N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126855046
2-Amino-4-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 1486308
N'-[1-(2-fluoropyrimidin-5-yl)ethyl]ethane-1,2-diamine
CID 21697978
5-Methyl-4-trifluoromethyl-pyrimidine
CID 22095078
4-trifluoromethyl-5-[1-(N-methylamino)-2-methylpropyl]pyrimidine
CID 22648743
2-Chloro-5-methyl-4-(trifluoromethyl)pyrimidine
CID 22947905

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 59825969) is 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(CNCC2CC2)c(C(F)(F)F)n1.
What is the InChIKey of 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XUWNWXCWIPCCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-7(5-16-9(14)17-8)4-15-3-6-1-2-6/h5-6,15H,1-4H2,(H2,14,16,17).
What are the key properties of 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylmethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 59825969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).