4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol

C17H30N2O3 — CID 172585970

IUPAC4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCCOc1ncnc(C2CC2)c1C.COC(C)(C)C(C)(C)O
InChIInChI=1S/C10H14N2O.C7H16O2/c1-3-13-10-7(2)9(8-4-5-8)11-6-12-10;1-6(2,8)7(3,4)9-5/h6,8H,3-5H2,1-2H3;8H,1-5H3
InChIKeyRTTFHOIHIMFJLG-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.24
Rot. Bonds5

About 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol

4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 172585970) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol
PubChem CID172585970
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol
SMILESCCOc1ncnc(C2CC2)c1C.COC(C)(C)C(C)(C)O
InChIInChI=1S/C10H14N2O.C7H16O2/c1-3-13-10-7(2)9(8-4-5-8)11-6-12-10;1-6(2,8)7(3,4)9-5/h6,8H,3-5H2,1-2H3;8H,1-5H3
InChIKeyRTTFHOIHIMFJLG-UHFFFAOYSA-N
XLogP3.24
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclopropyl-6-ethoxypyrimidin-5-yl)boronic acid
CID 153104304
CID 172585551
CID 172585551
[4-(5,6-dimethylpyrimidin-4-yl)cyclohexyl]methanamine
CID 83858562
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
CID 172585709
4-[4-(chloromethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 66326378
[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66327389
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79112279
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol (CID 172585970) is 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol is CCOc1ncnc(C2CC2)c1C.COC(C)(C)C(C)(C)O.
What is the InChIKey of 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is RTTFHOIHIMFJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C7H16O2/c1-3-13-10-7(2)9(8-4-5-8)11-6-12-10;1-6(2,8)7(3,4)9-5/h6,8H,3-5H2,1-2H3;8H,1-5H3.
What are the key properties of 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol?
4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 310.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-ethoxy-5-methylpyrimidine;3-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 172585970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).