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

C13H18N4O2 — CID 106374307

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1nc(CNc2cc(OC(C)C)ncn2)oc1C
InChIInChI=1S/C13H18N4O2/c1-8(2)18-12-5-11(15-7-16-12)14-6-13-17-9(3)10(4)19-13/h5,7-8H,6H2,1-4H3,(H,14,15,16)
InChIKeyCUALDUSFEVUUJQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.48
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 106374307) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
PubChem CID106374307
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
SMILESCc1nc(CNc2cc(OC(C)C)ncn2)oc1C
InChIInChI=1S/C13H18N4O2/c1-8(2)18-12-5-11(15-7-16-12)14-6-13-17-9(3)10(4)19-13/h5,7-8H,6H2,1-4H3,(H,14,15,16)
InChIKeyCUALDUSFEVUUJQ-UHFFFAOYSA-N
XLogP2.48
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 106378764
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N-[(1-methylpyrazol-3-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 82874280
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
CID 114093682
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine (CID 106374307) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine is Cc1nc(CNc2cc(OC(C)C)ncn2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is CUALDUSFEVUUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)18-12-5-11(15-7-16-12)14-6-13-17-9(3)10(4)19-13/h5,7-8H,6H2,1-4H3,(H,14,15,16).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 262.31 g/mol, XLogP of 2.48, 5 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]-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 106374307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).