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

C17H21N3O — CID 62496442

IUPACN-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCOc1ccc(-c2nc3c(c(NC)n2)CCC3)cc1
InChIInChI=1S/C17H21N3O/c1-3-11-21-13-9-7-12(8-10-13)16-19-15-6-4-5-14(15)17(18-2)20-16/h7-10H,3-6,11H2,1-2H3,(H,18,19,20)
InChIKeyWXMKIEBQRRMPNP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.46
Rot. Bonds5

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

N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62496442) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62496442
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCOc1ccc(-c2nc3c(c(NC)n2)CCC3)cc1
InChIInChI=1S/C17H21N3O/c1-3-11-21-13-9-7-12(8-10-13)16-19-15-6-4-5-14(15)17(18-2)20-16/h7-10H,3-6,11H2,1-2H3,(H,18,19,20)
InChIKeyWXMKIEBQRRMPNP-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62496442) is N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCOc1ccc(-c2nc3c(c(NC)n2)CCC3)cc1.
What is the InChIKey of N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is WXMKIEBQRRMPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-11-21-13-9-7-12(8-10-13)16-19-15-6-4-5-14(15)17(18-2)20-16/h7-10H,3-6,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62496442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).