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

C13H21N3 — CID 63184554

IUPACN-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3/c1-2-3-4-5-9-14-13-11-7-6-8-12(11)15-10-16-13/h10H,2-9H2,1H3,(H,14,15,16)
InChIKeyZPOOEBGWRNUXBF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds6

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

N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63184554) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63184554
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3/c1-2-3-4-5-9-14-13-11-7-6-8-12(11)15-10-16-13/h10H,2-9H2,1H3,(H,14,15,16)
InChIKeyZPOOEBGWRNUXBF-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121460
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106154550
N-(5,5,5-trifluoropentyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115486566
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
N-(5,5,5-trifluoropentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115486583
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N,N-diethylpropanamide
CID 62831331
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63184554) is N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCCCCNc1ncnc2c1CCC2.
What is the InChIKey of N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZPOOEBGWRNUXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-3-4-5-9-14-13-11-7-6-8-12(11)15-10-16-13/h10H,2-9H2,1H3,(H,14,15,16).
What are the key properties of N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63184554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).