4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine

C12H17N5O2 — CID 106378823

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
SMILESCOCc1nc(N)cc(NCc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H17N5O2/c1-7-8(2)19-12(15-7)5-14-10-4-9(13)16-11(17-10)6-18-3/h4H,5-6H2,1-3H3,(H3,13,14,16,17)
InChIKeyKMUGFTRNHICILH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.42
Rot. Bonds5

About 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine (PubChem CID 106378823) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
PubChem CID106378823
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
SMILESCOCc1nc(N)cc(NCc2nc(C)c(C)o2)n1
InChIInChI=1S/C12H17N5O2/c1-7-8(2)19-12(15-7)5-14-10-4-9(13)16-11(17-10)6-18-3/h4H,5-6H2,1-3H3,(H3,13,14,16,17)
InChIKeyKMUGFTRNHICILH-UHFFFAOYSA-N
XLogP1.42
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786
2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702220
methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
2-(methoxymethyl)-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106390312
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrazin-2-amine
CID 107268510
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 106369939
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759552
3-[2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 104696769
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 106379059
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine (CID 106378823) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine is COCc1nc(N)cc(NCc2nc(C)c(C)o2)n1.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine?
The InChIKey is KMUGFTRNHICILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-8(2)19-12(15-7)5-14-10-4-9(13)16-11(17-10)6-18-3/h4H,5-6H2,1-3H3,(H3,13,14,16,17).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine has a molecular weight of 263.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106378823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).