6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine

C16H23N5O — CID 91766459

IUPAC6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1cc(CN(C)c2cc(C3CC(N)C3)ncn2)on1
InChIInChI=1S/C16H23N5O/c1-10(2)14-6-13(22-20-14)8-21(3)16-7-15(18-9-19-16)11-4-12(17)5-11/h6-7,9-12H,4-5,8,17H2,1-3H3
InChIKeyJYIRTGWVEJOOBI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.43
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 91766459) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID91766459
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1cc(CN(C)c2cc(C3CC(N)C3)ncn2)on1
InChIInChI=1S/C16H23N5O/c1-10(2)14-6-13(22-20-14)8-21(3)16-7-15(18-9-19-16)11-4-12(17)5-11/h6-7,9-12H,4-5,8,17H2,1-3H3
InChIKeyJYIRTGWVEJOOBI-UHFFFAOYSA-N
XLogP2.43
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine (CID 91766459) is 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine is CC(C)c1cc(CN(C)c2cc(C3CC(N)C3)ncn2)on1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is JYIRTGWVEJOOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)14-6-13(22-20-14)8-21(3)16-7-15(18-9-19-16)11-4-12(17)5-11/h6-7,9-12H,4-5,8,17H2,1-3H3.
What are the key properties of 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91766459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).