4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine

C18H31N5 — CID 164632949

IUPAC4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1C
InChIInChI=1S/C18H31N5/c1-14-15(2)19-13-20-18(14)23-7-5-17(6-8-23)16(3)22-11-9-21(4)10-12-22/h13,16-17H,5-12H2,1-4H3/t16-/m0/s1
InChIKeyGSEBBAPUXPJCSH-INIZCTEOSA-N
MW317.48 g/mol
LogP1.95
Rot. Bonds3

About 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine

4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 164632949) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
PubChem CID164632949
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1C
InChIInChI=1S/C18H31N5/c1-14-15(2)19-13-20-18(14)23-7-5-17(6-8-23)16(3)22-11-9-21(4)10-12-22/h13,16-17H,5-12H2,1-4H3/t16-/m0/s1
InChIKeyGSEBBAPUXPJCSH-INIZCTEOSA-N
XLogP1.95
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70756219
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 70754334
4,6-dimethoxy-2-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436267
4,5-dimethyl-6-[4-[4-(4-propan-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 154853817
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
5-iodo-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 99983541
1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
3-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 72867802
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933358
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56885738

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine (CID 164632949) is 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine is Cc1ncnc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is GSEBBAPUXPJCSH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N5/c1-14-15(2)19-13-20-18(14)23-7-5-17(6-8-23)16(3)22-11-9-21(4)10-12-22/h13,16-17H,5-12H2,1-4H3/t16-/m0/s1.
What are the key properties of 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 317.48 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 164632949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).