2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline

C14H15N3 — CID 82473451

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
SMILESNc1ccccc1Cc1ncc2c(n1)CCC2
InChIInChI=1S/C14H15N3/c15-12-6-2-1-4-10(12)8-14-16-9-11-5-3-7-13(11)17-14/h1-2,4,6,9H,3,5,7-8,15H2
InChIKeyLDXROUALAUSLKH-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.14
Rot. Bonds2

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline (PubChem CID 82473451) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
PubChem CID82473451
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
SMILESNc1ccccc1Cc1ncc2c(n1)CCC2
InChIInChI=1S/C14H15N3/c15-12-6-2-1-4-10(12)8-14-16-9-11-5-3-7-13(11)17-14/h1-2,4,6,9H,3,5,7-8,15H2
InChIKeyLDXROUALAUSLKH-UHFFFAOYSA-N
XLogP2.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline
CID 82481825
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
2-[(2-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384927
2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
CID 82487373
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 122154395
3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
CID 105459189
1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190657
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 157029881
2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
CID 82481824
2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine
CID 115043187

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline (CID 82473451) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline is Nc1ccccc1Cc1ncc2c(n1)CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline?
The InChIKey is LDXROUALAUSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-12-6-2-1-4-10(12)8-14-16-9-11-5-3-7-13(11)17-14/h1-2,4,6,9H,3,5,7-8,15H2.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline has a molecular weight of 225.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 82473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).