4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine

C19H21N5O — CID 56877887

IUPAC4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)Cc2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C19H21N5O/c1-13-10-17(14-6-5-7-14)22-19(21-13)24(2)12-15-11-18(23-25-15)16-8-3-4-9-20-16/h3-4,8-11,14H,5-7,12H2,1-2H3
InChIKeyCCMUZORBHLWARX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds5

About 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine

4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 56877887) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID56877887
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(N(C)Cc2cc(-c3ccccn3)no2)n1
InChIInChI=1S/C19H21N5O/c1-13-10-17(14-6-5-7-14)22-19(21-13)24(2)12-15-11-18(23-25-15)16-8-3-4-9-20-16/h3-4,8-11,14H,5-7,12H2,1-2H3
InChIKeyCCMUZORBHLWARX-UHFFFAOYSA-N
XLogP3.74
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine (CID 56877887) is 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine is Cc1cc(C2CCC2)nc(N(C)Cc2cc(-c3ccccn3)no2)n1.
What is the InChIKey of 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is CCMUZORBHLWARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-10-17(14-6-5-7-14)22-19(21-13)24(2)12-15-11-18(23-25-15)16-8-3-4-9-20-16/h3-4,8-11,14H,5-7,12H2,1-2H3.
What are the key properties of 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N,6-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56877887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).