N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine

C21H34N6 — CID 97209396

IUPACN,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
SMILESCCCc1cc(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)nc(C)n1
InChIInChI=1S/C21H34N6/c1-5-8-19-15-20(24-17(2)23-19)27-12-6-9-18(16-27)21-22-10-14-26(21)13-7-11-25(3)4/h10,14-15,18H,5-9,11-13,16H2,1-4H3/t18-/m1/s1
InChIKeySEVMALBPJGEAFB-GOSISDBHSA-N
MW370.55 g/mol
LogP3.27
Rot. Bonds8

About N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine (PubChem CID 97209396) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
PubChem CID97209396
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC NameN,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
SMILESCCCc1cc(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)nc(C)n1
InChIInChI=1S/C21H34N6/c1-5-8-19-15-20(24-17(2)23-19)27-12-6-9-18(16-27)21-22-10-14-26(21)13-7-11-25(3)4/h10,14-15,18H,5-9,11-13,16H2,1-4H3/t18-/m1/s1
InChIKeySEVMALBPJGEAFB-GOSISDBHSA-N
XLogP3.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
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
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
N,N-dimethyl-2-[2-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72854865
N,N-dimethyl-3-[2-[1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72838131
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 97192564
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine (CID 97209396) is N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine is CCCc1cc(N2CCC[C@@H](c3nccn3CCCN(C)C)C2)nc(C)n1.
What is the InChIKey of N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
The InChIKey is SEVMALBPJGEAFB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H34N6/c1-5-8-19-15-20(24-17(2)23-19)27-12-6-9-18(16-27)21-22-10-14-26(21)13-7-11-25(3)4/h10,14-15,18H,5-9,11-13,16H2,1-4H3/t18-/m1/s1.
What are the key properties of N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine has a molecular weight of 370.55 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 97209396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).