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

C14H22N4O — CID 50971412

IUPAC5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCC1CC(C(C)C)=NO1
InChIInChI=1S/C14H22N4O/c1-5-11-7-15-10(4)17-14(11)16-8-12-6-13(9(2)3)18-19-12/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyMDKXRMUUNINGKW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.56
Rot. Bonds5

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

5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 50971412) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID50971412
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCC1CC(C(C)C)=NO1
InChIInChI=1S/C14H22N4O/c1-5-11-7-15-10(4)17-14(11)16-8-12-6-13(9(2)3)18-19-12/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyMDKXRMUUNINGKW-UHFFFAOYSA-N
XLogP2.56
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine (CID 50971412) is 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine is CCc1cnc(C)nc1NCC1CC(C(C)C)=NO1.
What is the InChIKey of 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is MDKXRMUUNINGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-11-7-15-10(4)17-14(11)16-8-12-6-13(9(2)3)18-19-12/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine?
5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50971412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).