6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine

C18H27N5O2 — CID 91761242

IUPAC6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCCc2c(C)noc2C)cc(C2CC(N)C2)n1
InChIInChI=1S/C18H27N5O2/c1-11-15(12(2)25-23-11)5-4-6-20-17-9-16(13-7-14(19)8-13)21-18(22-17)10-24-3/h9,13-14H,4-8,10,19H2,1-3H3,(H,20,21,22)
InChIKeyXVGYBYOZAJOTPF-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.48
Rot. Bonds8

About 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 91761242) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID91761242
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NCCCc2c(C)noc2C)cc(C2CC(N)C2)n1
InChIInChI=1S/C18H27N5O2/c1-11-15(12(2)25-23-11)5-4-6-20-17-9-16(13-7-14(19)8-13)21-18(22-17)10-24-3/h9,13-14H,4-8,10,19H2,1-3H3,(H,20,21,22)
InChIKeyXVGYBYOZAJOTPF-UHFFFAOYSA-N
XLogP2.48
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.48
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)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine (CID 91761242) is 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(NCCCc2c(C)noc2C)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is XVGYBYOZAJOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-11-15(12(2)25-23-11)5-4-6-20-17-9-16(13-7-14(19)8-13)21-18(22-17)10-24-3/h9,13-14H,4-8,10,19H2,1-3H3,(H,20,21,22).
What are the key properties of 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 91761242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).