4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine

C16H27N5 — CID 120847701

IUPAC4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCN(CC3CCCNC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-13-10-14(2)19-16(18-13)21-8-6-20(7-9-21)12-15-4-3-5-17-11-15/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyGMYHVLDVDPIQBT-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.22
Rot. Bonds3

About 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine

4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 120847701) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID120847701
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCN(CC3CCCNC3)CC2)n1
InChIInChI=1S/C16H27N5/c1-13-10-14(2)19-16(18-13)21-8-6-20(7-9-21)12-15-4-3-5-17-11-15/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyGMYHVLDVDPIQBT-UHFFFAOYSA-N
XLogP1.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
CID 95715719
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002
1-(2,3-dimethylphenyl)-4-(piperidin-3-ylmethyl)piperazine
CID 43245867
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944951
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine (CID 120847701) is 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCN(CC3CCCNC3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is GMYHVLDVDPIQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-10-14(2)19-16(18-13)21-8-6-20(7-9-21)12-15-4-3-5-17-11-15/h10,15,17H,3-9,11-12H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 289.43 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 120847701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).