[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C18H26N6O2 — CID 112912995

IUPAC[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(NCCN(C)C)n1
InChIInChI=1S/C18H26N6O2/c1-14-13-16(21-18(20-14)19-6-7-22(2)3)23-8-10-24(11-9-23)17(25)15-5-4-12-26-15/h4-5,12-13H,6-11H2,1-3H3,(H,19,20,21)
InChIKeyLDGPCPDBGZLWQW-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.31
Rot. Bonds6

About [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 112912995) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID112912995
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(NCCN(C)C)n1
InChIInChI=1S/C18H26N6O2/c1-14-13-16(21-18(20-14)19-6-7-22(2)3)23-8-10-24(11-9-23)17(25)15-5-4-12-26-15/h4-5,12-13H,6-11H2,1-3H3,(H,19,20,21)
InChIKeyLDGPCPDBGZLWQW-UHFFFAOYSA-N
XLogP1.31
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[4-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112919591
furan-2-yl-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 53047675
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112910679
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109332113
1-[4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 66903028

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 112912995) is [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(NCCN(C)C)n1.
What is the InChIKey of [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LDGPCPDBGZLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-14-13-16(21-18(20-14)19-6-7-22(2)3)23-8-10-24(11-9-23)17(25)15-5-4-12-26-15/h4-5,12-13H,6-11H2,1-3H3,(H,19,20,21).
What are the key properties of [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 112912995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).