6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

C17H29N5O2 — CID 91761352

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCCN2CCOCC2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H29N5O2/c1-23-12-17-20-15(13-9-14(18)10-13)11-16(21-17)19-3-2-4-22-5-7-24-8-6-22/h11,13-14H,2-10,12,18H2,1H3,(H,19,20,21)
InChIKeyGUDLPANXSDMCLJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.96
Rot. Bonds8

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (PubChem CID 91761352) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
PubChem CID91761352
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCCN2CCOCC2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H29N5O2/c1-23-12-17-20-15(13-9-14(18)10-13)11-16(21-17)19-3-2-4-22-5-7-24-8-6-22/h11,13-14H,2-10,12,18H2,1H3,(H,19,20,21)
InChIKeyGUDLPANXSDMCLJ-UHFFFAOYSA-N
XLogP0.96
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine (CID 91761352) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is COCc1nc(NCCCN2CCOCC2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
The InChIKey is GUDLPANXSDMCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-23-12-17-20-15(13-9-14(18)10-13)11-16(21-17)19-3-2-4-22-5-7-24-8-6-22/h11,13-14H,2-10,12,18H2,1H3,(H,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine has a molecular weight of 335.45 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 91761352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).