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

C12H16N4O2 — CID 66329191

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2cc(C)on2)ncn1
InChIInChI=1S/C12H16N4O2/c1-3-4-17-12-6-11(14-8-15-12)13-7-10-5-9(2)18-16-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyJLDNFYRNHHEWBY-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.17
Rot. Bonds6

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

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine (PubChem CID 66329191) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
PubChem CID66329191
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCc2cc(C)on2)ncn1
InChIInChI=1S/C12H16N4O2/c1-3-4-17-12-6-11(14-8-15-12)13-7-10-5-9(2)18-16-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14,15)
InChIKeyJLDNFYRNHHEWBY-UHFFFAOYSA-N
XLogP2.17
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66328817
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66329022
N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66328979
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 106303319

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine (CID 66329191) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCc2cc(C)on2)ncn1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is JLDNFYRNHHEWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-4-17-12-6-11(14-8-15-12)13-7-10-5-9(2)18-16-10/h5-6,8H,3-4,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66329191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).