9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride

C17H30Cl2N4 — CID 154907815

IUPAC9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
SMILESCCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C17H28N4.2ClH/c1-3-15-19-14(2)13-16(20-15)21-11-4-5-17(8-12-21)6-9-18-10-7-17;;/h13,18H,3-12H2,1-2H3;2*1H
InChIKeyGMELXPRRPWIPHG-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.55
Rot. Bonds2

About 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride

9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride (PubChem CID 154907815) has the molecular formula C17H30Cl2N4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride.

Molecular Properties

Compound Name9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
PubChem CID154907815
Molecular FormulaC17H30Cl2N4
Molecular Weight361.36 g/mol
Exact Mass360.18
IUPAC Name9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
SMILESCCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1.Cl.Cl
InChIInChI=1S/C17H28N4.2ClH/c1-3-15-19-14(2)13-16(20-15)21-11-4-5-17(8-12-21)6-9-18-10-7-17;;/h13,18H,3-12H2,1-2H3;2*1H
InChIKeyGMELXPRRPWIPHG-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,9-diazaspiro[4.5]decan-2-yl)-6-methylpyrimidin-2-yl]methanol
CID 166266789
[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
CID 130978683
1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 50978711
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
CID 80936627
2-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)-4-methyl-1,3-thiazole;dihydrochloride
CID 154902980
1-(2-ethyl-6-methylpyrimidin-4-yl)-3-propylazetidin-3-amine
CID 114276590
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
methyl 1-(2-ethyl-6-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 114276570
[6-(8-azaspiro[4.5]decan-8-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80944594
N,N-diethyl-4-methyl-6-piperazin-1-ylpyrimidin-2-amine
CID 83726827
[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 100759265
1-[9-(2-ethyl-6-methylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-phenylethanone
CID 131913030

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The IUPAC name of 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride (CID 154907815) is 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride.
What is the SMILES notation for 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The canonical SMILES for 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride is CCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1.Cl.Cl.
What is the InChIKey of 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
The InChIKey is GMELXPRRPWIPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.2ClH/c1-3-15-19-14(2)13-16(20-15)21-11-4-5-17(8-12-21)6-9-18-10-7-17;;/h13,18H,3-12H2,1-2H3;2*1H.
What are the key properties of 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride?
9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride has a molecular weight of 361.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride is sourced from PubChem (CID 154907815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).