[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

C15H19N5O2 — CID 137341507

IUPAC[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1cnc(N)nc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H19N5O2/c1-2-11-10-17-15(16)18-13(11)19-5-7-20(8-6-19)14(21)12-4-3-9-22-12/h3-4,9-10H,2,5-8H2,1H3,(H2,16,17,18)
InChIKeyQMGACRFQACAGFX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.18
Rot. Bonds3

About [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 137341507) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID137341507
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCc1cnc(N)nc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H19N5O2/c1-2-11-10-17-15(16)18-13(11)19-5-7-20(8-6-19)14(21)12-4-3-9-22-12/h3-4,9-10H,2,5-8H2,1H3,(H2,16,17,18)
InChIKeyQMGACRFQACAGFX-UHFFFAOYSA-N
XLogP1.18
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-ethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56881987
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
[4-(2,6-diaminopyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14156152
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 23942183
5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47137505

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 137341507) is [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is CCc1cnc(N)nc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QMGACRFQACAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-11-10-17-15(16)18-13(11)19-5-7-20(8-6-19)14(21)12-4-3-9-22-12/h3-4,9-10H,2,5-8H2,1H3,(H2,16,17,18).
What are the key properties of [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 137341507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).