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

C14H20N4O2 — CID 106374140

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2nc(C)c(C)o2)n1
InChIInChI=1S/C14H20N4O2/c1-5-6-19-12-7-9(2)16-14(18-12)15-8-13-17-10(3)11(4)20-13/h7H,5-6,8H2,1-4H3,(H,15,16,18)
InChIKeyHNQGCRXVLWQWFQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.79
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 106374140) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID106374140
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCc2nc(C)c(C)o2)n1
InChIInChI=1S/C14H20N4O2/c1-5-6-19-12-7-9(2)16-14(18-12)15-8-13-17-10(3)11(4)20-13/h7H,5-6,8H2,1-4H3,(H,15,16,18)
InChIKeyHNQGCRXVLWQWFQ-UHFFFAOYSA-N
XLogP2.79
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112636987
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
4-methyl-N-[(4-methylthiophen-3-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112638235
4-methyl-N-[(2-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107419381
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine (CID 106374140) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCc2nc(C)c(C)o2)n1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is HNQGCRXVLWQWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-5-6-19-12-7-9(2)16-14(18-12)15-8-13-17-10(3)11(4)20-13/h7H,5-6,8H2,1-4H3,(H,15,16,18).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 106374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).