4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine

C16H24N6O — CID 91830193

IUPAC4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCCn3ccnc3C)CC2)n1
InChIInChI=1S/C16H24N6O/c1-14-17-6-9-21(14)8-3-7-20-10-12-22(13-11-20)16-18-5-4-15(19-16)23-2/h4-6,9H,3,7-8,10-13H2,1-2H3
InChIKeyUGFCOTJDEQOHSC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.20
Rot. Bonds6

About 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine

4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine (PubChem CID 91830193) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
PubChem CID91830193
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(CCCn3ccnc3C)CC2)n1
InChIInChI=1S/C16H24N6O/c1-14-17-6-9-21(14)8-3-7-20-10-12-22(13-11-20)16-18-5-4-15(19-16)23-2/h4-6,9H,3,7-8,10-13H2,1-2H3
InChIKeyUGFCOTJDEQOHSC-UHFFFAOYSA-N
XLogP1.20
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-4-methoxypyrimidine
CID 171911279
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
4-methoxy-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171130101
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 100766108
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine (CID 91830193) is 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(CCCn3ccnc3C)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
The InChIKey is UGFCOTJDEQOHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-14-17-6-9-21(14)8-3-7-20-10-12-22(13-11-20)16-18-5-4-15(19-16)23-2/h4-6,9H,3,7-8,10-13H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine has a molecular weight of 316.41 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-[3-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 91830193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).