4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline

C16H19N3 — CID 82481825

IUPAC4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline
SMILESNc1ccc(CCCc2ncc3c(n2)CCC3)cc1
InChIInChI=1S/C16H19N3/c17-14-9-7-12(8-10-14)3-1-6-16-18-11-13-4-2-5-15(13)19-16/h7-11H,1-6,17H2
InChIKeyPGBJILGXQQFLNW-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.72
Rot. Bonds4

About 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline

4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline (PubChem CID 82481825) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline
PubChem CID82481825
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline
SMILESNc1ccc(CCCc2ncc3c(n2)CCC3)cc1
InChIInChI=1S/C16H19N3/c17-14-9-7-12(8-10-14)3-1-6-16-18-11-13-4-2-5-15(13)19-16/h7-11H,1-6,17H2
InChIKeyPGBJILGXQQFLNW-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
CID 105459189
2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
CID 82487373
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
CID 82473451
1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
4-[3-(4,6-dimethylpyrimidin-2-yl)propyl]aniline
CID 82477601
4-[3-(4-propan-2-ylpyrimidin-2-yl)propyl]aniline
CID 96664622
4-[3-(1,2,4-benzotriazin-3-yl)propyl]aniline
CID 82486367
4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline
CID 57154920
4-(3-chloropropyl)aniline
CID 11805171
2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009060

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline?
The IUPAC name of 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline (CID 82481825) is 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline?
The canonical SMILES for 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline is Nc1ccc(CCCc2ncc3c(n2)CCC3)cc1.
What is the InChIKey of 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline?
The InChIKey is PGBJILGXQQFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-14-9-7-12(8-10-14)3-1-6-16-18-11-13-4-2-5-15(13)19-16/h7-11H,1-6,17H2.
What are the key properties of 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline?
4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline has a molecular weight of 253.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline is sourced from PubChem (CID 82481825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).