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

C12H16N4O — CID 106898452

IUPAC6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2ncc(CC)o2)ncn1
InChIInChI=1S/C12H16N4O/c1-3-9-5-11(16-8-15-9)13-7-12-14-6-10(4-2)17-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,15,16)
InChIKeyPVJQBAOPFRBVEH-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.20
Rot. Bonds5

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

6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106898452) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID106898452
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2ncc(CC)o2)ncn1
InChIInChI=1S/C12H16N4O/c1-3-9-5-11(16-8-15-9)13-7-12-14-6-10(4-2)17-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,15,16)
InChIKeyPVJQBAOPFRBVEH-UHFFFAOYSA-N
XLogP2.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 106373391
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-nitropyridin-2-amine
CID 114180511
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114181084
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403520
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 106378527
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 106898452) is 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is CCc1cc(NCc2ncc(CC)o2)ncn1.
What is the InChIKey of 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is PVJQBAOPFRBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-9-5-11(16-8-15-9)13-7-12-14-6-10(4-2)17-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,15,16).
What are the key properties of 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106898452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).