[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine

C10H12F3N3 — CID 83861692

IUPAC[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine
SMILESCc1nc2c(c(C(F)(F)F)n1)C(CN)CC2
InChIInChI=1S/C10H12F3N3/c1-5-15-7-3-2-6(4-14)8(7)9(16-5)10(11,12)13/h6H,2-4,14H2,1H3
InChIKeyQQILMOPTRURKFY-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.79
Rot. Bonds1

About [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine

[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine (PubChem CID 83861692) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine
PubChem CID83861692
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine
SMILESCc1nc2c(c(C(F)(F)F)n1)C(CN)CC2
InChIInChI=1S/C10H12F3N3/c1-5-15-7-3-2-6(4-14)8(7)9(16-5)10(11,12)13/h6H,2-4,14H2,1H3
InChIKeyQQILMOPTRURKFY-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
CID 83861716
(2,4-dimethyl-5,6,7,8-tetrahydroquinazolin-5-yl)methanamine
CID 83861961
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 57374629
(2,5-dimethylpyrrolidin-1-yl)-[2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
CID 71853306
[(3S)-3-aminopyrrolidin-1-yl]-[(6R)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
CID 124588817
[(3S)-3-aminopyrrolidin-1-yl]-[(6S)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
CID 124588818
5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
CID 83871269
3-cyclopropyl-4-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146617411
2,4,5-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 22943707
5-(2-aminoethyl)-4-methyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 83861742
(6S)-N-[(2S)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 97009121
4-cyclopropyl-5-(methylaminomethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 83861830

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine?
The IUPAC name of [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine (CID 83861692) is [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine is Cc1nc2c(c(C(F)(F)F)n1)C(CN)CC2.
What is the InChIKey of [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine?
The InChIKey is QQILMOPTRURKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-5-15-7-3-2-6(4-14)8(7)9(16-5)10(11,12)13/h6H,2-4,14H2,1H3.
What are the key properties of [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine?
[2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine has a molecular weight of 231.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83861692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).