7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine

C13H19N3O — CID 115039692

IUPAC7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
SMILESCC1(N)CCc2cnc(C3CCOCC3)nc21
InChIInChI=1S/C13H19N3O/c1-13(14)5-2-10-8-15-12(16-11(10)13)9-3-6-17-7-4-9/h8-9H,2-7,14H2,1H3
InChIKeyFVNWYNXXTWMIEU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds1

About 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine

7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine (PubChem CID 115039692) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine.

Molecular Properties

Compound Name7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
PubChem CID115039692
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
SMILESCC1(N)CCc2cnc(C3CCOCC3)nc21
InChIInChI=1S/C13H19N3O/c1-13(14)5-2-10-8-15-12(16-11(10)13)9-3-6-17-7-4-9/h8-9H,2-7,14H2,1H3
InChIKeyFVNWYNXXTWMIEU-UHFFFAOYSA-N
XLogP1.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-7-methyl-5,6-dihydrocyclopenta[d]pyrimidin-7-amine
CID 115023151
1-[4-methyl-2-(oxan-4-yl)pyrimidin-5-yl]ethanone
CID 65334515
5-bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
5-iodo-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301879
5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
CID 83824583
5-bromo-2-(4,4-dimethylcyclohexyl)pyrimidin-4-amine
CID 66303875
2-cyclopropyl-4-methyl-5-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]pyrimidine
CID 74238909
6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline
CID 174284643
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
1-[5-(oxan-4-yl)-1,2,4-triazin-3-yl]cyclopropan-1-amine
CID 105475956
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82763025
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292613

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
The IUPAC name of 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine (CID 115039692) is 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine.
What is the SMILES notation for 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
The canonical SMILES for 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine is CC1(N)CCc2cnc(C3CCOCC3)nc21.
What is the InChIKey of 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
The InChIKey is FVNWYNXXTWMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(14)5-2-10-8-15-12(16-11(10)13)9-3-6-17-7-4-9/h8-9H,2-7,14H2,1H3.
What are the key properties of 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine?
7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine has a molecular weight of 233.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-4-yl)-5,6-dihydrocyclopenta[d]pyrimidin-7-amine is sourced from PubChem (CID 115039692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).