4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine

C12H19N3O3 — CID 132970552

IUPAC4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)C2CC(OC)C2)n1
InChIInChI=1S/C12H19N3O3/c1-15(8-5-9(6-8)16-2)12-13-10(17-3)7-11(14-12)18-4/h7-9H,5-6H2,1-4H3
InChIKeyRWYQYNCFLQXNOW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.11
Rot. Bonds5

About 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine

4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine (PubChem CID 132970552) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine
PubChem CID132970552
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)C2CC(OC)C2)n1
InChIInChI=1S/C12H19N3O3/c1-15(8-5-9(6-8)16-2)12-13-10(17-3)7-11(14-12)18-4/h7-9H,5-6H2,1-4H3
InChIKeyRWYQYNCFLQXNOW-UHFFFAOYSA-N
XLogP1.11
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Trimethoxypyrimidine
CID 726938
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
2-[2-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 44577413
2-[2-[2-(dimethylamino)ethoxy]-6-propan-2-yloxypyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 44577414
4-(3-aminopropoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577443
4-(4-aminobutoxy)-6-ethoxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577444
4-(3-aminopropoxy)-6-propan-2-yloxy-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 44577446
2,6-Dimethoxy-N,N,N-trimethylpyrimidin-4-aminium chloride
CID 12684329
4,6-Dimethoxypyrimidine
CID 259821

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine (CID 132970552) is 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine is COc1cc(OC)nc(N(C)C2CC(OC)C2)n1.
What is the InChIKey of 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine?
The InChIKey is RWYQYNCFLQXNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(8-5-9(6-8)16-2)12-13-10(17-3)7-11(14-12)18-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine?
4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine has a molecular weight of 253.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(3-methoxycyclobutyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 132970552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).