1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine

C13H21N3O — CID 63197261

IUPAC1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-3-14-10(8-17-2)7-13-11-5-4-6-12(11)15-9-16-13/h9-10,14H,3-8H2,1-2H3
InChIKeyVAXRDCLMSPHASE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.13
Rot. Bonds6

About 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine

1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 63197261) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID63197261
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)Cc1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-3-14-10(8-17-2)7-13-11-5-4-6-12(11)15-9-16-13/h9-10,14H,3-8H2,1-2H3
InChIKeyVAXRDCLMSPHASE-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine (CID 63197261) is 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)Cc1ncnc2c1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is VAXRDCLMSPHASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-14-10(8-17-2)7-13-11-5-4-6-12(11)15-9-16-13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine?
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 63197261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).