2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane

C12H18N4O — CID 176625990

IUPAC2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCOCc1ccnc(N2CC3(CN(C)C3)C2)n1
InChIInChI=1S/C12H18N4O/c1-15-6-12(7-15)8-16(9-12)11-13-4-3-10(14-11)5-17-2/h3-4H,5-9H2,1-2H3
InChIKeyNNSYFIRQQRFGQZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.37
Rot. Bonds3

About 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane

2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 176625990) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID176625990
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCOCc1ccnc(N2CC3(CN(C)C3)C2)n1
InChIInChI=1S/C12H18N4O/c1-15-6-12(7-15)8-16(9-12)11-13-4-3-10(14-11)5-17-2/h3-4H,5-9H2,1-2H3
InChIKeyNNSYFIRQQRFGQZ-UHFFFAOYSA-N
XLogP0.37
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
CID 175849457
2-methyl-6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176625502
4-(methoxymethyl)-2-(1-methylazetidin-3-yl)oxypyrimidine
CID 176626121
2-[4-(phenoxymethyl)pyrimidin-2-yl]-2-azaspiro[3.3]heptan-6-one
CID 175849353
3-[4-[2-[4-[[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 171612609
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane
CID 163847477
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 176626342
4-[2-[4-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]benzamide
CID 171612537
6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176626260
1-(5-chloro-2-pyridinyl)-4-[6-(methoxymethyl)-2-pyridinyl]piperazine
CID 75450434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane (CID 176625990) is 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane is COCc1ccnc(N2CC3(CN(C)C3)C2)n1.
What is the InChIKey of 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is NNSYFIRQQRFGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-6-12(7-15)8-16(9-12)11-13-4-3-10(14-11)5-17-2/h3-4H,5-9H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane?
2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 234.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 176625990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).