2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H21N3O — CID 79617455

IUPAC2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C(C)OC)nc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-4-8-14-13-10-6-5-7-11(10)15-12(16-13)9(2)17-3/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZHQZMUOJLVMDST-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds5

About 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 79617455) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID79617455
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C(C)OC)nc2c1CCC2
InChIInChI=1S/C13H21N3O/c1-4-8-14-13-10-6-5-7-11(10)15-12(16-13)9(2)17-3/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZHQZMUOJLVMDST-UHFFFAOYSA-N
XLogP2.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
2-(1-methoxybutyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116729133
2-[cyclopropyl(methoxy)methyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728949
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
2-(3,3-dimethylbutan-2-yl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114270687
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
2-(2-methylcyclopropyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65421960
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79616020
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103150283
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 102928852

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 79617455) is 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCNc1nc(C(C)OC)nc2c1CCC2.
What is the InChIKey of 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZHQZMUOJLVMDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-8-14-13-10-6-5-7-11(10)15-12(16-13)9(2)17-3/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 79617455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).