2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C14H23N3O — CID 107385466

IUPAC2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCCNC1CCCCc2nc(COC)ncc21
InChIInChI=1S/C14H23N3O/c1-3-8-15-12-6-4-5-7-13-11(12)9-16-14(17-13)10-18-2/h9,12,15H,3-8,10H2,1-2H3
InChIKeySVEZDNAAJBQDGV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.39
Rot. Bonds5

About 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385466) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385466
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCCNC1CCCCc2nc(COC)ncc21
InChIInChI=1S/C14H23N3O/c1-3-8-15-12-6-4-5-7-13-11(12)9-16-14(17-13)10-18-2/h9,12,15H,3-8,10H2,1-2H3
InChIKeySVEZDNAAJBQDGV-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007510
2-[2-(2-methoxyethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 102928805
2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385419
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106815190
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385263
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103150233
N-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465
N-propyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009879
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385123
N-ethyl-2-(ethylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385270
2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65414221
2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728342

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385466) is 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCCNC1CCCCc2nc(COC)ncc21.
What is the InChIKey of 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is SVEZDNAAJBQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-8-15-12-6-4-5-7-13-11(12)9-16-14(17-13)10-18-2/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 249.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).