4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine

C21H28N6 — CID 30876879

IUPAC4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(-c2cccc(-c3ccn(CCN(C)C)n3)c2)c1C
InChIInChI=1S/C21H28N6/c1-15-16(2)22-21(26(5)6)23-20(15)18-9-7-8-17(14-18)19-10-11-27(24-19)13-12-25(3)4/h7-11,14H,12-13H2,1-6H3
InChIKeySVOZAMOPQXHFML-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.25
Rot. Bonds6

About 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine

4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine (PubChem CID 30876879) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine
PubChem CID30876879
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(-c2cccc(-c3ccn(CCN(C)C)n3)c2)c1C
InChIInChI=1S/C21H28N6/c1-15-16(2)22-21(26(5)6)23-20(15)18-9-7-8-17(14-18)19-10-11-27(24-19)13-12-25(3)4/h7-11,14H,12-13H2,1-6H3
InChIKeySVOZAMOPQXHFML-UHFFFAOYSA-N
XLogP3.25
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The IUPAC name of 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine (CID 30876879) is 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The canonical SMILES for 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine is Cc1nc(N(C)C)nc(-c2cccc(-c3ccn(CCN(C)C)n3)c2)c1C.
What is the InChIKey of 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine?
The InChIKey is SVOZAMOPQXHFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-15-16(2)22-21(26(5)6)23-20(15)18-9-7-8-17(14-18)19-10-11-27(24-19)13-12-25(3)4/h7-11,14H,12-13H2,1-6H3.
What are the key properties of 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine?
4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine has a molecular weight of 364.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]phenyl]-N,N,5,6-tetramethylpyrimidin-2-amine is sourced from PubChem (CID 30876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).