N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H21N3O — CID 53192843

IUPACN-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)OCCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-10(2)17-8-4-7-14-13-11-5-3-6-12(11)15-9-16-13/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyRBBXVUVGAHUEGL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 53192843) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID53192843
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)OCCCNc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-10(2)17-8-4-7-14-13-11-5-3-6-12(11)15-9-16-13/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyRBBXVUVGAHUEGL-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 53192843) is N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(C)OCCCNc1ncnc2c1CCC2.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is RBBXVUVGAHUEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)17-8-4-7-14-13-11-5-3-6-12(11)15-9-16-13/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 53192843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).