3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol

C10H12F3N3O — CID 113231443

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ncnc2c1CCC2)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8(17)4-14-9-6-2-1-3-7(6)15-5-16-9/h5,8,17H,1-4H2,(H,14,15,16)
InChIKeyNKHGNZDEQJHZOC-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.30
Rot. Bonds3

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 113231443) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID113231443
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNc1ncnc2c1CCC2)C(F)(F)F
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8(17)4-14-9-6-2-1-3-7(6)15-5-16-9/h5,8,17H,1-4H2,(H,14,15,16)
InChIKeyNKHGNZDEQJHZOC-UHFFFAOYSA-N
XLogP1.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,2-difluoropropan-1-ol
CID 104858582
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(2-chloro-3-methylbutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113492831
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831874
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-(2-methyl-3-piperidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832802
N-(5,5,5-trifluoropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115486583
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,3-dimethylbutan-2-ol
CID 106185428

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol (CID 113231443) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol is OC(CNc1ncnc2c1CCC2)C(F)(F)F.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NKHGNZDEQJHZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8(17)4-14-9-6-2-1-3-7(6)15-5-16-9/h5,8,17H,1-4H2,(H,14,15,16).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 247.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 113231443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).