4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine

C15H25N5 — CID 133315643

IUPAC4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(C3CCCN(C)C3)CC2)ncn1
InChIInChI=1S/C15H25N5/c1-13-10-15(17-12-16-13)20-8-6-19(7-9-20)14-4-3-5-18(2)11-14/h10,12,14H,3-9,11H2,1-2H3
InChIKeyRQNLMDKXOJRSDE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.00
Rot. Bonds2

About 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine

4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 133315643) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
PubChem CID133315643
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCN(C3CCCN(C)C3)CC2)ncn1
InChIInChI=1S/C15H25N5/c1-13-10-15(17-12-16-13)20-8-6-19(7-9-20)14-4-3-5-18(2)11-14/h10,12,14H,3-9,11H2,1-2H3
InChIKeyRQNLMDKXOJRSDE-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine
CID 66201241
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrazine
CID 133315581
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-6-methylpyrimidine
CID 126892964
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 133315625
6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 124824334
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95829142

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine (CID 133315643) is 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine is Cc1cc(N2CCN(C3CCCN(C)C3)CC2)ncn1.
What is the InChIKey of 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is RQNLMDKXOJRSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-13-10-15(17-12-16-13)20-8-6-19(7-9-20)14-4-3-5-18(2)11-14/h10,12,14H,3-9,11H2,1-2H3.
What are the key properties of 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine?
4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 275.40 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133315643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).