1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone

C17H24N6O — CID 122340355

IUPAC1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)Cn3cccc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-14-18-15(20(2)3)12-16(19-14)22-8-10-23(11-9-22)17(24)13-21-6-4-5-7-21/h4-7,12H,8-11,13H2,1-3H3
InChIKeyIAGVLMNASCEAAK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.00
Rot. Bonds4

About 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone

1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone (PubChem CID 122340355) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
PubChem CID122340355
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)Cn3cccc3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-14-18-15(20(2)3)12-16(19-14)22-8-10-23(11-9-22)17(24)13-21-6-4-5-7-21/h4-7,12H,8-11,13H2,1-3H3
InChIKeyIAGVLMNASCEAAK-UHFFFAOYSA-N
XLogP1.00
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122340282
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264
3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70703338
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 122340259
2-(1,3-benzodioxol-5-yl)-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122340306
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122340386
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122340314
(E)-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 122340199
1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122348463
(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340188
N-(4-bromophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 56919567

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone?
The IUPAC name of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone (CID 122340355) is 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone.
What is the SMILES notation for 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone?
The canonical SMILES for 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone is Cc1nc(N(C)C)cc(N2CCN(C(=O)Cn3cccc3)CC2)n1.
What is the InChIKey of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone?
The InChIKey is IAGVLMNASCEAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-18-15(20(2)3)12-16(19-14)22-8-10-23(11-9-22)17(24)13-21-6-4-5-7-21/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone?
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone has a molecular weight of 328.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone is sourced from PubChem (CID 122340355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).