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

C12H15ClN4O2 — CID 114180776

IUPAC6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCc2ncc(C)o2)n1
InChIInChI=1S/C12H15ClN4O2/c1-3-18-7-11-16-9(13)4-10(17-11)14-6-12-15-5-8(2)19-12/h4-5H,3,6-7H2,1-2H3,(H,14,16,17)
InChIKeyMOWFAKWMLIPELN-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.58
Rot. Bonds6

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

6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 114180776) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID114180776
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCc2ncc(C)o2)n1
InChIInChI=1S/C12H15ClN4O2/c1-3-18-7-11-16-9(13)4-10(17-11)14-6-12-15-5-8(2)19-12/h4-5H,3,6-7H2,1-2H3,(H,14,16,17)
InChIKeyMOWFAKWMLIPELN-UHFFFAOYSA-N
XLogP2.58
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 114180776) is 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is CCOCc1nc(Cl)cc(NCc2ncc(C)o2)n1.
What is the InChIKey of 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is MOWFAKWMLIPELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-3-18-7-11-16-9(13)4-10(17-11)14-6-12-15-5-8(2)19-12/h4-5H,3,6-7H2,1-2H3,(H,14,16,17).
What are the key properties of 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 282.73 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethoxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114180776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).