4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

C20H33N7 — CID 97273146

IUPAC4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(N2CCC[C@H](c3nccn3CCN(C)C)C2)c1C
InChIInChI=1S/C20H33N7/c1-15-16(2)22-20(25(5)6)23-18(15)27-10-7-8-17(14-27)19-21-9-11-26(19)13-12-24(3)4/h9,11,17H,7-8,10,12-14H2,1-6H3/t17-/m0/s1
InChIKeyWPHKLEKKQICUGF-KRWDZBQOSA-N
MW371.53 g/mol
LogP2.30
Rot. Bonds6

About 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine

4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine (PubChem CID 97273146) has the molecular formula C20H33N7 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
PubChem CID97273146
Molecular FormulaC20H33N7
Molecular Weight371.53 g/mol
Exact Mass371.28
IUPAC Name4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(N2CCC[C@H](c3nccn3CCN(C)C)C2)c1C
InChIInChI=1S/C20H33N7/c1-15-16(2)22-20(25(5)6)23-18(15)27-10-7-8-17(14-27)19-21-9-11-26(19)13-12-24(3)4/h9,11,17H,7-8,10,12-14H2,1-6H3/t17-/m0/s1
InChIKeyWPHKLEKKQICUGF-KRWDZBQOSA-N
XLogP2.30
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 97275239
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
5-chloro-6-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72920180
N,N-dimethyl-2-[2-[(3S)-1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97189808
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97123365
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72884806

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine (CID 97273146) is 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine is Cc1nc(N(C)C)nc(N2CCC[C@H](c3nccn3CCN(C)C)C2)c1C.
What is the InChIKey of 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The InChIKey is WPHKLEKKQICUGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N7/c1-15-16(2)22-20(25(5)6)23-18(15)27-10-7-8-17(14-27)19-21-9-11-26(19)13-12-24(3)4/h9,11,17H,7-8,10,12-14H2,1-6H3/t17-/m0/s1.
What are the key properties of 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine?
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine has a molecular weight of 371.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine is sourced from PubChem (CID 97273146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).