4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 82191941

IUPAC4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NC2CCNC2)n1
InChIInChI=1S/C10H13F3N4/c1-6-4-8(10(11,12)13)17-9(15-6)16-7-2-3-14-5-7/h4,7,14H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyBMWKDODKJTUNLW-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 82191941) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID82191941
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NC2CCNC2)n1
InChIInChI=1S/C10H13F3N4/c1-6-4-8(10(11,12)13)17-9(15-6)16-7-2-3-14-5-7/h4,7,14H,2-3,5H2,1H3,(H,15,16,17)
InChIKeyBMWKDODKJTUNLW-UHFFFAOYSA-N
XLogP1.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridin-3-amine
CID 175911772
N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
6-methyl-2-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 115025325
N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 94417648
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
[(1S,2R)-2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]methanol
CID 138020158
5-[[4-(pyrrolidin-3-ylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 151835597
5-ethyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 82270894
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
1-methyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 156608717
2-methyl-4-(piperidin-3-ylmethyl)-6-(trifluoromethyl)pyridine
CID 146284962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 82191941) is 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NC2CCNC2)n1.
What is the InChIKey of 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is BMWKDODKJTUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-6-4-8(10(11,12)13)17-9(15-6)16-7-2-3-14-5-7/h4,7,14H,2-3,5H2,1H3,(H,15,16,17).
What are the key properties of 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 82191941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).