4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine

C20H31N5 — CID 72857071

IUPAC4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
SMILESCCCCn1ccnc1C1CCCN(c2cc(CCC)nc(C)n2)C1
InChIInChI=1S/C20H31N5/c1-4-6-11-24-13-10-21-20(24)17-9-7-12-25(15-17)19-14-18(8-5-2)22-16(3)23-19/h10,13-14,17H,4-9,11-12,15H2,1-3H3
InChIKeyXUKSKSSBSSRXMX-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.12
Rot. Bonds7

About 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine

4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine (PubChem CID 72857071) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine.

Molecular Properties

Compound Name4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
PubChem CID72857071
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
SMILESCCCCn1ccnc1C1CCCN(c2cc(CCC)nc(C)n2)C1
InChIInChI=1S/C20H31N5/c1-4-6-11-24-13-10-21-20(24)17-9-7-12-25(15-17)19-14-18(8-5-2)22-16(3)23-19/h10,13-14,17H,4-9,11-12,15H2,1-3H3
InChIKeyXUKSKSSBSSRXMX-UHFFFAOYSA-N
XLogP4.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 97192564
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 97191148
3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine?
The IUPAC name of 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine (CID 72857071) is 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine.
What is the SMILES notation for 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine?
The canonical SMILES for 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine is CCCCn1ccnc1C1CCCN(c2cc(CCC)nc(C)n2)C1.
What is the InChIKey of 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine?
The InChIKey is XUKSKSSBSSRXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-4-6-11-24-13-10-21-20(24)17-9-7-12-25(15-17)19-14-18(8-5-2)22-16(3)23-19/h10,13-14,17H,4-9,11-12,15H2,1-3H3.
What are the key properties of 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine?
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine has a molecular weight of 341.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine is sourced from PubChem (CID 72857071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).