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

C13H21N3O2 — CID 53192852

IUPACN,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O2/c1-17-8-6-16(7-9-18-2)13-11-4-3-5-12(11)14-10-15-13/h10H,3-9H2,1-2H3
InChIKeyFEJOWEZFDPEZMK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds7

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

N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 53192852) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID53192852
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCN(CCOC)c1ncnc2c1CCC2
InChIInChI=1S/C13H21N3O2/c1-17-8-6-16(7-9-18-2)13-11-4-3-5-12(11)14-10-15-13/h10H,3-9H2,1-2H3
InChIKeyFEJOWEZFDPEZMK-UHFFFAOYSA-N
XLogP1.06
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 53192852) is N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is COCCN(CCOC)c1ncnc2c1CCC2.
What is the InChIKey of N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is FEJOWEZFDPEZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-8-6-16(7-9-18-2)13-11-4-3-5-12(11)14-10-15-13/h10H,3-9H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 53192852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).