N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C15H25N3 — CID 114138445

IUPACN-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCC(CCC)Nc1ncnc2c1CCC2
InChIInChI=1S/C15H25N3/c1-3-5-8-12(7-4-2)18-15-13-9-6-10-14(13)16-11-17-15/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyTZSRDGIHDFAGFL-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.74
Rot. Bonds7

About N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 114138445) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID114138445
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCC(CCC)Nc1ncnc2c1CCC2
InChIInChI=1S/C15H25N3/c1-3-5-8-12(7-4-2)18-15-13-9-6-10-14(13)16-11-17-15/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyTZSRDGIHDFAGFL-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pentane-1,2-diamine
CID 65193301
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
CID 106026043
2-propyl-N-(5,6,7,8-tetrahydroquinazolin-4-yl)butane-1,4-diamine
CID 106116461
3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]hexan-1-ol
CID 103827619
N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106154550
N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103768418
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 114138445) is N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCCC(CCC)Nc1ncnc2c1CCC2.
What is the InChIKey of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is TZSRDGIHDFAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-5-8-12(7-4-2)18-15-13-9-6-10-14(13)16-11-17-15/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 114138445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).