N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H21N3O — CID 55121460

IUPACN-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCOCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-2-3-8-17-9-7-14-13-11-5-4-6-12(11)15-10-16-13/h10H,2-9H2,1H3,(H,14,15,16)
InChIKeyXORXVWIESUSRJB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds7

About N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 55121460) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID55121460
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCCOCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-2-3-8-17-9-7-14-13-11-5-4-6-12(11)15-10-16-13/h10H,2-9H2,1H3,(H,14,15,16)
InChIKeyXORXVWIESUSRJB-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113233517
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63870196
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114138445
ethyl 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831496
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 55121460) is N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCCOCCNc1ncnc2c1CCC2.
What is the InChIKey of N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is XORXVWIESUSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-8-17-9-7-14-13-11-5-4-6-12(11)15-10-16-13/h10H,2-9H2,1H3,(H,14,15,16).
What are the key properties of N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 55121460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).