[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C13H16N6O2 — CID 14156152

IUPAC[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(N)n1
InChIInChI=1S/C13H16N6O2/c14-10-8-11(17-13(15)16-10)18-3-5-19(6-4-18)12(20)9-2-1-7-21-9/h1-2,7-8H,3-6H2,(H4,14,15,16,17)
InChIKeyMTMYNMHOLABLJN-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.20
Rot. Bonds2

About [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 14156152) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID14156152
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESNc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(N)n1
InChIInChI=1S/C13H16N6O2/c14-10-8-11(17-13(15)16-10)18-3-5-19(6-4-18)12(20)9-2-1-7-21-9/h1-2,7-8H,3-6H2,(H4,14,15,16,17)
InChIKeyMTMYNMHOLABLJN-UHFFFAOYSA-N
XLogP0.20
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1-amino-6,7-dimethoxyisoquinolin-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14068977
[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 133367981
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[(3S)-3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 95119604
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 23942183
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 14156152) is [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is Nc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(N)n1.
What is the InChIKey of [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MTMYNMHOLABLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-10-8-11(17-13(15)16-10)18-3-5-19(6-4-18)12(20)9-2-1-7-21-9/h1-2,7-8H,3-6H2,(H4,14,15,16,17).
What are the key properties of [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 14156152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).